4UWH
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![BU of 4uwh by Molmil](/molmil-images/mine/4uwh) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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3GNG
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![BU of 3gng by Molmil](/molmil-images/mine/3gng) | P21B crystal structure of R1-R7 of Murine MVP | Descriptor: | Major vault protein | Authors: | Querol-Audi, J, Casanas, A, Uson, I, Caston, J.R, Fita, I, Verdaguer, N. | Deposit date: | 2009-03-17 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP Embo J., 28, 2009
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3GZL
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![BU of 3gzl by Molmil](/molmil-images/mine/3gzl) | Crystal Structure of holo PfACP Disulfide-Linked Dimer | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein | Authors: | Gallagher, J.R, Prigge, S.T. | Deposit date: | 2009-04-07 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Plasmodium falciparum acyl carrier protein crystal structures in disulfide-linked and reduced states and their prevalence during blood stage growth. Proteins, 78, 2010
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3H1D
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![BU of 3h1d by Molmil](/molmil-images/mine/3h1d) | Structure of the HUWE1 HECT Domain | Descriptor: | E3 ubiquitin-protein ligase HUWE1, SULFATE ION | Authors: | Partridge, J.R, Schwartz, T.U. | Deposit date: | 2009-04-11 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | A structural element within the HUWE1 HECT domain modulates self-ubiquitination and substrate ubiquitination activities. J.Biol.Chem., 285, 2010
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4W8Q
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![BU of 4w8q by Molmil](/molmil-images/mine/4w8q) | |
4UWF
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![BU of 4uwf by Molmil](/molmil-images/mine/4uwf) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4UWG
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![BU of 4uwg by Molmil](/molmil-images/mine/4uwg) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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1IKI
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![BU of 1iki by Molmil](/molmil-images/mine/1iki) | COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT | Descriptor: | D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE | Authors: | Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A. | Deposit date: | 2001-05-03 | Release date: | 2002-09-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins. J.Mol.Biol., 322, 2002
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6J3Z
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![BU of 6j3z by Molmil](/molmil-images/mine/6j3z) | Structure of C2S1M1-type PSII-FCPII supercomplex from diatom | Descriptor: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F. | Deposit date: | 2019-01-07 | Release date: | 2019-08-07 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex. Nat.Plants, 5, 2019
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3GNF
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![BU of 3gnf by Molmil](/molmil-images/mine/3gnf) | P1 Crystal structure of the N-terminal R1-R7 of murine MVP | Descriptor: | Major vault protein | Authors: | Querol-Audi, J, Casanas, A, Uson, I, Luque, D, Caston, J.R, Fita, I, Verdaguer, N. | Deposit date: | 2009-03-17 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP Embo J., 28, 2009
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6JLP
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![BU of 6jlp by Molmil](/molmil-images/mine/6jlp) | XFEL structure of cyanobacterial photosystem II (3F state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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4XE0
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![BU of 4xe0 by Molmil](/molmil-images/mine/4xe0) | Idelalisib bound to the p110 subunit of PI3K delta | Descriptor: | 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J.R, Villasenor, A. | Deposit date: | 2014-12-20 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.434 Å) | Cite: | Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta. J.Biol.Chem., 290, 2015
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6J3Y
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![BU of 6j3y by Molmil](/molmil-images/mine/6j3y) | Structure of C2S2-type PSII-FCPII supercomplex from diatom | Descriptor: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F. | Deposit date: | 2019-01-07 | Release date: | 2019-08-07 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex. Nat.Plants, 5, 2019
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4XCX
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![BU of 4xcx by Molmil](/molmil-images/mine/4xcx) | METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase | Authors: | Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-18 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structure of human C1ORF59 in complex with SAH To be published
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3H8M
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![BU of 3h8m by Molmil](/molmil-images/mine/3h8m) | SAM domain of human ephrin type-a receptor 7 (EPHA7) | Descriptor: | Ephrin type-A receptor 7 | Authors: | Walker, J.R, Yermekbayeva, L, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-29 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SAM Domain of Human Ephrin Type-A Receptor 7 (Epha7) To be Published
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3H8H
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![BU of 3h8h by Molmil](/molmil-images/mine/3h8h) | Structure of the C-terminal domain of human RNF2/RING1B; | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RING2, GLYCEROL, ... | Authors: | Walker, J.R, Bezsonova, I, Bacik, J, Duan, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-29 | Release date: | 2009-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ring1B contains a ubiquitin-like docking module for interaction with Cbx proteins. Biochemistry, 48, 2009
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6JLM
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![BU of 6jlm by Molmil](/molmil-images/mine/6jlm) | XFEL structure of cyanobacterial photosystem II (dark state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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3HI1
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![BU of 3hi1 by Molmil](/molmil-images/mine/3hi1) | Structure of HIV-1 gp120 (core with V3) in Complex with CD4-Binding-Site Antibody F105 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F105 Heavy Chain, F105 Light Chain, ... | Authors: | Kwon, Y.D, Chen, L, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z, Zhang, M.-Y, Arthos, J, Burton, D.R, Dimitrov, D, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | Deposit date: | 2009-05-18 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
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4XVS
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![BU of 4xvs by Molmil](/molmil-images/mine/4xvs) | Crystal structure of HIV-1 donor 45 d45-01dG5 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 Light chain, Donor 45 01dG5 coreE gp120, ... | Authors: | Joyce, M.G, Mascola, J.R, Kwong, P.D. | Deposit date: | 2015-01-27 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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3HIL
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![BU of 3hil by Molmil](/molmil-images/mine/3hil) | SAM Domain of Human Ephrin Type-A Receptor 1 (EphA1) | Descriptor: | CHLORIDE ION, Ephrin type-A receptor 1, NITRATE ION | Authors: | Walker, J.R, Yermekbayeva, L, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-20 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | SAM Domain of Human Ephrin Type-A Receptor 1 (EphA1). To be Published
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6JLK
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![BU of 6jlk by Molmil](/molmil-images/mine/6jlk) | XFEL structure of cyanobacterial photosystem II (1F state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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2R96
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![BU of 2r96 by Molmil](/molmil-images/mine/2r96) | Crystal structure of E. coli WrbA in complex with FMN | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-09-12 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
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1H0S
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![BU of 1h0s by Molmil](/molmil-images/mine/1h0s) | 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with 3-hydroxyimino-quinic acid | Descriptor: | 3-DEHYDROQUINATE DEHYDRATASE, 3-HYDROXYIMINO QUINIC ACID, GLYCEROL, ... | Authors: | Roszak, A.W, Frederickson, M, Abell, C, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-06-27 | Release date: | 2003-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Specificity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis To be Published
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4XK8
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![BU of 4xk8 by Molmil](/molmil-images/mine/4xk8) | Crystal structure of plant photosystem I-LHCI super-complex at 2.8 angstrom resolution | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Suga, M, Qin, X, Kuang, T, Shen, J.R. | Deposit date: | 2015-01-10 | Release date: | 2015-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for energy transfer pathways in the plant PSI-LHCI supercomplex Science, 348, 2015
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1H0R
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![BU of 1h0r by Molmil](/molmil-images/mine/1h0r) | Type II Dehydroquinase from Mycobacterium tuberculosis complexed with 2,3-anhydro-quinic acid | Descriptor: | 2,3 -ANHYDRO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | Authors: | Roszak, A.W, Robinson, D.A, Frederickson, M, Abell, C, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2002-06-27 | Release date: | 2003-10-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Selectivity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis To be Published
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