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6LZY
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BU of 6lzy by Molmil
Structure of Phytolacca americana UGT3 with 18-crown-6
Descriptor: 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, BROMIDE ION, ...
Authors:Maharjan, R, Fukuda, Y, Nakayama, T, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T.
Deposit date:2020-02-19
Release date:2020-06-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crown-ether-mediated crystal structures of the glycosyltransferase PaGT3 from Phytolacca americana.
Acta Crystallogr D Struct Biol, 76, 2020
3V81
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BU of 3v81 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and the nonnucleoside inhibitor nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2011-12-22
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8503 Å)
Cite:HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
6RQ9
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BU of 6rq9 by Molmil
CYP121 in complex with O-methyl dicyclotyrosine
Descriptor: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ...
Authors:Poddar, H, Levy, C.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
3HA7
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BU of 3ha7 by Molmil
Crystal structure of HMA (MMAA4) from mycobacterium tuberculosis complexed with S-adenosyl-N-decyl-aminoethyl (SADAE)
Descriptor: 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine, METHOXY MYCOLIC ACID SYNTHASE 4
Authors:Vaubourgeix, J, Boissier, F, Julien, S, Mourey, L.
Deposit date:2009-05-01
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:SADAE, a potent bisubstrate inhibitor of mycobacterium tuberculosis mycolic acid methyltransferases
To be Published
3LCC
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BU of 3lcc by Molmil
Structure of a SAM-dependent halide methyltransferase from Arabidopsis thaliana
Descriptor: CHLORIDE ION, Putative methyl chloride transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schmidberger, J.W, O'Hagan, D, Naismith, J.H.
Deposit date:2010-01-10
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Halomethane Biosynthesis: Structure of a SAM-Dependent Halide Methyltransferase from Arabidopsis thaliana
Angew.Chem.Int.Ed.Engl., 49, 2010
3HBJ
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BU of 3hbj by Molmil
Structure of UGT78G1 complexed with UDP
Descriptor: Flavonoid 3-O-glucosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Wang, X, Modolo, L, Li, L, Dixon, R.
Deposit date:2009-05-04
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of glycosyltransferase UGT78G1 reveal the molecular basis for glycosylation and deglycosylation of (iso)flavonoids.
J.Mol.Biol., 392, 2009
4D3V
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BU of 4d3v by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
Descriptor: CHLORIDE ION, GLYCEROL, N-PROPANOL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-10-23
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 58, 2015
5XRC
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BU of 5xrc by Molmil
A Trimodular GH5_4 Subfamily Endoglucanase Structure with Large Unit Cell
Descriptor: Cellulase
Authors:Zhang, H.D.
Deposit date:2017-06-08
Release date:2019-02-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Characterization of a Trimodular GH5_4 Subfamily Endoglucanase Structure with Large Unit Cell
To Be Published
6LN2
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BU of 6ln2 by Molmil
Crystal structure of full length human GLP1 receptor in complex with Fab fragment (Fab7F38)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab7F38_heavy chain, Fab7F38_light chain, ...
Authors:Wu, F, Yang, L, Hang, K, Laursen, M, Wu, L, Han, G.W, Ren, Q, Roed, N.K, Lin, G, Hanson, M, Jiang, H, Wang, M, Reedtz-Runge, S, Song, G, Stevens, R.C.
Deposit date:2019-12-28
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Full-length human GLP-1 receptor structure without orthosteric ligands.
Nat Commun, 11, 2020
6ROJ
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BU of 6roj by Molmil
Cryo-EM structure of the activated Drs2p-Cdc50p
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
4CIN
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BU of 4cin by Molmil
Complex of Bcl-xL with its BH3 domain
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ...
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D.
Deposit date:2013-12-12
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
6RUV
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BU of 6ruv by Molmil
Structure of the SCIN stabilized C3bBb convertase bound to Properdin and a the non-inhibitory nanobody hFPNb1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, ...
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2019-05-29
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (6.15 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
5XTE
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BU of 5xte by Molmil
Cryo-EM structure of human respiratory complex III (cytochrome bc1 complex)
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, ...
Authors:Gu, J, Wu, M, Yang, M.
Deposit date:2017-06-19
Release date:2017-08-30
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
3H5V
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BU of 3h5v by Molmil
Crystal structure of the GluR2-ATD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
Authors:Jin, R, Singh, S.K, Gu, S, Furukawa, H, Sobolevsky, A, Zhou, J, Jin, Y, Gouaux, E.
Deposit date:2009-04-22
Release date:2009-06-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure and association behaviour of the GluR2 amino-terminal domain.
Embo J., 28, 2009
3H6O
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BU of 3h6o by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-23
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
6LPL
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BU of 6lpl by Molmil
A2AR crystallized in EROCOC17+4, SS-ROX at 100 K
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M.
Deposit date:2020-01-11
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
3VWW
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BU of 3vww by Molmil
Crystal structure of a0-domain of P5 from H. sapiens
Descriptor: PHOSPHATE ION, Protein disulfide-isomerase A6
Authors:Inaba, K, Suzuki, M.
Deposit date:2012-09-03
Release date:2013-09-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Synergistic cooperation of PDI family members in peroxiredoxin 4-driven oxidative protein folding
Sci Rep, 3, 2013
6LQY
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BU of 6lqy by Molmil
Crystal complex of endo-deglycosylated hydroxynitrile lyase isozyme 5 of Prunus communis with benzaldehyde
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PREDICTED: (R)-mandelonitrile lyase, ...
Authors:Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-01-15
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 2020
6LR8
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BU of 6lr8 by Molmil
Mutant L331A of deglycosylated hydroxynitrile lyase isozyme 5 from Prunus communis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zheng, Y.-C, Xu, J.-H.
Deposit date:2020-01-15
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 2020
5XPD
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BU of 5xpd by Molmil
Sugar transporter of AtSWEET13 in inward-facing state with a substrate analog
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, sugar transporter
Authors:Han, L, Zhang, X.J.
Deposit date:2017-06-01
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:Molecular mechanism of substrate recognition and transport by the AtSWEET13 sugar transporter
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RX4
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BU of 6rx4 by Molmil
THE STRUCTURE OF BD OXIDASE FROM ESCHERICHIA COLI
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ...
Authors:Rasmussen, T, Boettcher, B, Thesseling, A, Friedrich, T.
Deposit date:2019-06-07
Release date:2019-11-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Homologous bd oxidases share the same architecture but differ in mechanism.
Nat Commun, 10, 2019
4CPF
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BU of 4cpf by Molmil
Wild-type streptavidin in complex with love-hate ligand 3 (LH3)
Descriptor: STREPTAVIDIN, methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate
Authors:Fairhead, M, Shen, D, Chan, L.K.M, Lowe, E.D, Donohoe, T.J, Howarth, M.
Deposit date:2014-02-06
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Bioorg.Med.Chem., 22, 2014
6RV6
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BU of 6rv6 by Molmil
Structure of properdin lacking TSR3 based on anomalous data
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ...
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2019-05-31
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.507 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6RVY
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BU of 6rvy by Molmil
Inward-open structure of the ASCT2 (SLC1A5) mutant C467R in absence of substrate
Descriptor: Neutral amino acid transporter B(0)
Authors:Garaeva, A.A, Guskov, A, Slotboom, D.J, Paulino, C.
Deposit date:2019-06-03
Release date:2019-08-07
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:A one-gate elevator mechanism for the human neutral amino acid transporter ASCT2.
Nat Commun, 10, 2019
3V89
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BU of 3v89 by Molmil
The crystal structure of transferrin binding protein A (TbpA) from Neisseria meningitidis serogroup B in complex with the C-lobe of human transferrin
Descriptor: Serotransferrin, Transferrin-binding protein A
Authors:Noinaj, N, Oke, M, Easley, N, Zak, O, Aisen, P, Buchanan, S.K.
Deposit date:2011-12-22
Release date:2012-02-15
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for iron piracy by pathogenic Neisseria.
Nature, 483, 2012

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