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3KL1
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BU of 3kl1 by Molmil
Crystal structure of abscisic acid receptor PYL2 at 1.55 A
Descriptor: Putative uncharacterized protein At2g26040
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2009-11-06
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
8JON
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BU of 8jon by Molmil
Structure of a synthetic circadian clock protein KaiC mutant of cyanobacteria Synechococcus elongatus PCC 7942
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock oscillator protein KaiC, ...
Authors:Jia, X, Zhang, Q, Li, S, Guo, J.
Deposit date:2023-06-07
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Adaptation of ancient cyanobacterial clock to the day length ~ 0.95 Ga ago
To Be Published
2QMG
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BU of 2qmg by Molmil
Structure of BACE Bound to SCH745966
Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
Authors:Strickland, C.O, Iserloh, U.
Deposit date:2007-07-16
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
5IZ9
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BU of 5iz9 by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
7YV4
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BU of 7yv4 by Molmil
Crystal structure of human UCHL3 in complex with Farrerol
Descriptor: (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Ubiquitin carboxyl-terminal hydrolase isozyme L3
Authors:Mao, Z.Y, Xu, X.J, Zhang, W.T.
Deposit date:2022-08-18
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Farrerol directly activates the deubiqutinase UCHL3 to promote DNA repair and reprogramming when mediated by somatic cell nuclear transfer.
Nat Commun, 14, 2023
5XLL
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BU of 5xll by Molmil
Dimer form of M. tuberculosis PknI sensor domain
Descriptor: Serine/threonine-protein kinase PknI
Authors:Rao, Z, Yan, Q.
Deposit date:2017-05-10
Release date:2018-05-16
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
4XQD
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BU of 4xqd by Molmil
X-ray structure analysis of xylanase-WT at pH4.0
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQW
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BU of 4xqw by Molmil
X-ray structure analysis of xylanase-N44E with MES at pH6.0
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XPV
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BU of 4xpv by Molmil
Neutron and X-ray structure analysis of xylanase: N44D at pH6
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-18
Release date:2015-09-30
Last modified:2023-09-27
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XQ4
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BU of 4xq4 by Molmil
X-ray structure analysis of xylanase - N44D
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
2GA2
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BU of 2ga2 by Molmil
h-MetAP2 complexed with A193400
Descriptor: 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Park, C.
Deposit date:2006-03-07
Release date:2007-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.
Bioorg.Med.Chem.Lett., 16, 2006
6DUV
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BU of 6duv by Molmil
Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Authors:Babault, N, Zhou, M.M.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains
To be published
5IUT
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BU of 5iut by Molmil
STRUCTURE OF P450 2B4 F202W MUTANT
Descriptor: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jang, H.-H, Halpert, J.R, Shah, M.B.
Deposit date:2016-03-18
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry.
Biophys.Chem., 216, 2016
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
Descriptor: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
Authors:Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
Descriptor: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2020-07-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
Descriptor: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
Descriptor: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2020-07-01
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVG
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BU of 7bvg by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose.
Descriptor: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
4N0N
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BU of 4n0n by Molmil
Crystal structure of Arterivirus nonstructural protein 10 (helicase)
Descriptor: MAGNESIUM ION, Replicase polyprotein 1ab, SULFATE ION, ...
Authors:Deng, Z, Chen, Z.
Deposit date:2013-10-02
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
4N0O
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BU of 4n0o by Molmil
Complex structure of Arterivirus nonstructural protein 10 (helicase) with DNA
Descriptor: CALCIUM ION, DNA, Replicase polyprotein 1ab, ...
Authors:Deng, Z, Chen, Z.
Deposit date:2013-10-02
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
4RZG
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BU of 4rzg by Molmil
Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
Authors:Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RZE
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BU of 4rze by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
Authors:Wang, K, Wang, X, Pan, L.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022

221051

数据于2024-06-12公开中

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