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6SIQ
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BU of 6siq by Molmil
Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-08-10
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60121 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
3CGI
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BU of 3cgi by Molmil
Crystal structure of the PduU shell protein from the Pdu microcompartment
Descriptor: Propanediol utilization protein pduU
Authors:Crowley, C.S, Sawaya, M.R, Yeates, T.O.
Deposit date:2008-03-05
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the PduU Shell Protein from the Pdu Microcompartment of Salmonella
Structure, 16, 2008
5FAN
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BU of 5fan by Molmil
Crystal structure of PvHCT in complex with p-coumaroyl-CoA and protocatechuate
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, Hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase 2, p-coumaroyl-CoA
Authors:Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D.
Deposit date:2015-12-11
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin.
Plant Cell.Physiol., 57, 2016
3EZI
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BU of 3ezi by Molmil
Crystal Structure of the E. coli Histidine Kinase NarX Sensor Domain without Ligand
Descriptor: ISOPROPYL ALCOHOL, Nitrate/nitrite sensor protein narX
Authors:Cheung, J, Hendrickson, W.A.
Deposit date:2008-10-22
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Analysis of Ligand Stimulation of the Histidine Kinase NarX.
Structure, 17, 2009
4JBQ
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BU of 4jbq by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: Aurora Kinase A, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
6S4D
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BU of 6s4d by Molmil
Crystal Structure of the Homospermidine Synthase (HSS) variant W229F from Blastochloris viridis in Complex with NAD
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Homospermidine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Helfrich, F, Scheidig, A.J.
Deposit date:2019-06-27
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and catalytic characterization of Blastochloris viridis and Pseudomonas aeruginosa homospermidine synthases supports the essential role of cation-pi interaction.
Acta Crystallogr D Struct Biol, 77, 2021
1Y20
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BU of 1y20 by Molmil
Crystal structure of the NR1 ligand-binding core in complex with ACPC
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, Glutamate [NMDA] receptor subunit zeta 1
Authors:Inanobe, A, Gouaux, E.
Deposit date:2004-11-19
Release date:2005-07-12
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors.
Neuron, 47, 2005
5UR7
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BU of 5ur7 by Molmil
Crystal structure of engineered CCL20 disulfide locked dimer
Descriptor: ACETATE ION, C-C motif chemokine 20, ISOPROPYL ALCOHOL
Authors:Getschman, A.E, Peterson, F.C, Volkman, B.F.
Deposit date:2017-02-09
Release date:2017-11-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.0004 Å)
Cite:Protein engineering of the chemokine CCL20 prevents psoriasiform dermatitis in an IL-23-dependent murine model.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1ZP0
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BU of 1zp0 by Molmil
Crystal Structure of Mitochondrial Respiratory Complex II bound with 3-nitropropionate and 2-thenoyltrifluoroacetone
Descriptor: 3-NITROPROPANOIC ACID, 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE, FAD-binding protein, ...
Authors:Sun, F, Huo, X, Zhai, Y, Wang, A, Xu, J, Su, D, Bartlam, M, Rao, Z.
Deposit date:2005-05-16
Release date:2005-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structure of Mitochondrial Respiratory Membrane Protein Complex II
Cell(Cambridge,Mass.), 121, 2005
5IGJ
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BU of 5igj by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and clarithromycin
Descriptor: CLARITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
2A6S
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BU of 2a6s by Molmil
Crystal structure of YoeB under isopropanol condition
Descriptor: ISOPROPYL ALCOHOL, Toxin yoeB
Authors:Kamada, K, Hanaoka, F.
Deposit date:2005-07-04
Release date:2005-08-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Conformational Change in the Catalytic Site of the Ribonuclease YoeB Toxin by YefM Antitoxin
Mol.Cell, 19, 2005
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Descriptor: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
5D6U
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BU of 5d6u by Molmil
X-ray crystal structure of ribonuclease A determined for the real space D/H contrast method
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Chatake, T, Fujiwara, S.
Deposit date:2015-08-13
Release date:2016-04-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A technique for determining the deuterium/hydrogen contrast map in neutron macromolecular crystallography
Acta Crystallogr D Struct Biol, 72, 2016
1JW6
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BU of 1jw6 by Molmil
Crystal Structure of the Complex of Concanavalin A and Hexapeptide
Descriptor: CALCIUM ION, Concanavalin A, ISOPROPYL ALCOHOL, ...
Authors:Zhang, Z, Qian, M, Huang, Q, Jia, Y, Tang, Y.
Deposit date:2001-09-02
Release date:2001-09-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of the complex of concanavalin A and hexapeptide.
J.Protein Chem., 20, 2001
5D97
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BU of 5d97 by Molmil
Neutron crystal structure of H2O-solvent ribonuclease A
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Chatake, T, Fujiwara, S.
Deposit date:2015-08-18
Release date:2016-04-06
Last modified:2018-12-05
Method:NEUTRON DIFFRACTION (1.8 Å)
Cite:A technique for determining the deuterium/hydrogen contrast map in neutron macromolecular crystallography
Acta Crystallogr D Struct Biol, 72, 2016
5IGI
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BU of 5igi by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and azithromycin
Descriptor: AZITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGP
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BU of 5igp by Molmil
Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin
Descriptor: ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
8JY7
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BU of 8jy7 by Molmil
Structure of the TbAQP2 in the apo conformation
Descriptor: Aquaglyceroporin 2
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
6FUE
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BU of 6fue by Molmil
Periplasmic coiled coil domain of the FapF amyloid transporter
Descriptor: FapF, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Rouse, S.L, Stylianou, F, Morgan, R.M.L, Matthews, S.J.
Deposit date:2018-02-26
Release date:2018-06-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The FapF Amyloid Secretion Transporter Possesses an Atypical Asymmetric Coiled Coil.
J. Mol. Biol., 430, 2018
1AIM
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BU of 1aim by Molmil
CRUZAIN INHIBITED BY BENZOYL-TYROSINE-ALANINE-FLUOROMETHYLKETONE
Descriptor: BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE, CRUZAIN
Authors:Fletterick, R, Gillmor, S.
Deposit date:1997-04-21
Release date:1997-10-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural determinants of specificity in the cysteine protease cruzain.
Protein Sci., 6, 1997
5TVO
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BU of 5tvo by Molmil
Crystal structure of Trypanosoma brucei AdoMetDC-delta26 monomer
Descriptor: PYRUVIC ACID, S-adenosylmethionine decarboxylase proenzyme, SODIUM ION
Authors:Volkov, O.A, Ariagno, C, Chen, Z, Tomchick, D.R, Phillips, M.A.
Deposit date:2016-11-09
Release date:2016-12-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Relief of autoinhibition by conformational switch explains enzyme activation by a catalytically dead paralog.
Elife, 5, 2016
6G1B
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BU of 6g1b by Molmil
Corynebacterium glutamicum OxyR, oxidized form
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, HYDROGEN PEROXIDE, ...
Authors:Young, D.R, Pedre, B.P, Messens, J.M.
Deposit date:2018-03-21
Release date:2018-12-05
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1SZR
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BU of 1szr by Molmil
A Dimer interface mutant of ornithine decarboxylase reveals structure of gem diamine intermediate
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE, Ornithine decarboxylase, ...
Authors:Jackson, L.K, Baldwin, J, Goldsmith, E.J, Phillips, M.A.
Deposit date:2004-04-06
Release date:2004-10-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Multiple active site conformations revealed by distant site mutation in ornithine decarboxylase
Biochemistry, 43, 2004
5PHM
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BU of 5phm by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09455a
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, N-OXALYLGLYCINE, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PHD
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BU of 5phd by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09419a
Descriptor: 1,2-ETHANEDIOL, 4-NITROCATECHOL, Lysine-specific demethylase 4D, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.359 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017

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數據於2024-10-30公開中

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