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4O08
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BU of 4o08 by Molmil
Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor
分子名称: 2-phenoxyacetamide, SULFATE ION, Soluble epoxide hydrolase
著者Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2013-12-13
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
2IV8
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BU of 2iv8 by Molmil
beta appendage in complex with b-arrestin peptide
分子名称: AP-2 COMPLEX SUBUNIT BETA-1, BETA-ARRESTIN-1
著者Ford, M.G.J, Schmid, E.M, McMahon, H.T.
登録日2006-06-08
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Role of the Ap2 Beta-Appendage Hub in Recruiting Partners for Clathrin-Coated Vesicle Assembly.
Plos Biol., 4, 2006
2RIS
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BU of 2ris by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of candida albicans- alternate interpretation
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase
著者Stenkamp, R.E, Le Trong, I.
登録日2007-10-12
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
3QN7
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BU of 3qn7 by Molmil
Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA)
分子名称: 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator
著者Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C.
登録日2011-02-08
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bicyclic peptide inhibitor reveals large contact interface with a protease target
Acs Chem.Biol., 7, 2012
3F9F
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BU of 3f9f by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.0
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
2RIU
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BU of 2riu by Molmil
Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE
著者Stenkamp, R.E, Le Trong, I.
登録日2007-10-12
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
3O64
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BU of 3o64 by Molmil
Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides
分子名称: (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Orth, P.
登録日2010-07-28
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3F9H
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BU of 3f9h by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 7.6
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
3CXC
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BU of 3cxc by Molmil
The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui
分子名称: (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ...
著者Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M.
登録日2008-04-24
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.
Bioorg.Med.Chem.Lett., 18, 2008
7C4O
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BU of 7c4o by Molmil
Solution structure of the Orange domain from human protein HES1
分子名称: Transcription factor HES-1
著者Fan, J.S, Nayak, A, Swaminathan, K.
登録日2020-05-18
公開日2021-05-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Induction of Transcriptional Inhibitor Hairy and Enhancer of Split Homolog-1 and the Related Repression of Tumor-Suppressor Thioredoxin-Interacting Protein Are Important Components of Cell-Transformation Program Imposed by Oncogenic Kinase Nucleophosmin-Anaplastic Lymphoma Kinase.
Am J Pathol, 2022
1ZCZ
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BU of 1zcz by Molmil
Crystal structure of Phosphoribosylaminoimidazolecarboxamide formyltransferase / IMP cyclohydrolase (TM1249) from THERMOTOGA MARITIMA at 1.88 A resolution
分子名称: Bifunctional purine biosynthesis protein purH, POTASSIUM ION, TETRAETHYLENE GLYCOL
著者Joint Center for Structural Genomics (JCSG)
登録日2005-04-13
公開日2005-04-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of AICAR transformylase IMP cyclohydrolase (TM1249) from Thermotoga maritima at 1.88 A resolution.
Proteins, 71, 2008
5F8U
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BU of 5f8u by Molmil
Ligand occupancy in crystal structure of beta1-adrenergic receptor previously submitted by Huang et al
分子名称: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor
著者Leslie, A.G.W, Warne, A, Tate, C.G.
登録日2015-12-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Ligand occupancy in crystal structure of Beta1 adrenergic G protein coupled receptor
Nat.Struct.Mol.Biol., 22, 2015
3RG6
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BU of 3rg6 by Molmil
Crystal structure of a chaperone-bound assembly intermediate of form I Rubisco
分子名称: RbcX protein, Ribulose bisphosphate carboxylase large chain
著者Bracher, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
登録日2011-04-07
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a chaperone-bound assembly intermediate of form I Rubisco.
Nat.Struct.Mol.Biol., 18, 2011
4LH5
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BU of 4lh5 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
3F9E
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BU of 3f9e by Molmil
Crystal Structure of the S139A mutant of SARS-Coronovirus 3C-like Protease
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
4LH4
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BU of 4lh4 by Molmil
Dual inhibition of HIV-1 replication by Integrase-LEDGF allosteric inhibitors is predominant at post-integration stage during virus production rather than at integration
分子名称: Integrase, MAGNESIUM ION
著者Ruff, M, Levy, N, Eiler, S.
登録日2013-06-30
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dual inhibition of HIV-1 replication by integrase-LEDGF allosteric inhibitors is predominant at the post-integration stage.
Retrovirology, 10, 2013
2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
著者Xia, Z, Huang, L.
登録日2007-01-14
公開日2008-01-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
2OK3
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BU of 2ok3 by Molmil
X-ray structure of human cyclophilin J at 2.0 angstrom
分子名称: NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3
著者Xia, Z.
登録日2007-01-15
公開日2008-01-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
6NLH
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BU of 6nlh by Molmil
Structure of human triose phosphate isomerase R189A
分子名称: BROMIDE ION, PHOSPHATE ION, SODIUM ION, ...
著者Richards, K.R, Roland, B.P, Palladino, M.J, VanDemark, A.P.
登録日2019-01-08
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Missense variant in TPI1 (Arg189Gln) causes neurologic deficits through structural changes in the triosephosphate isomerase catalytic site and reduced enzyme levels in vivo.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
分子名称: D-alanine-D-alanine ligase
著者Wu, D, Zhang, L, Jiang, H, Shen, X.
登録日2007-05-10
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
1U6E
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BU of 1u6e by Molmil
1.85 Angstrom Crystal Structure of the C112A Mutant of Mycobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III (FabH)
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase III, CHLORIDE ION
著者Mussayev, F, Sachedeva, S, Scarsdale, J.N, Reynolds, K.A, Wright, H.T.
登録日2004-07-29
公開日2005-05-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A.
J.Mol.Biol., 346, 2005
3F9G
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BU of 3f9g by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.5
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
4TRQ
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BU of 4trq by Molmil
Crystal structure of Sac3/Thp1/Sem1
分子名称: 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ...
著者Hellerschmied, D, Schneider, S, Kohler, A, Clausen, T.
登録日2014-06-17
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Nuclear Pore-Associated TREX-2 Complex Employs Mediator to Regulate Gene Expression.
Cell, 162, 2015
2P3U
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Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
分子名称: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
著者Adler, M, Whitlow, M.
登録日2007-03-09
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献

3LGP
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Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor
分子名称: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
著者Orth, P.
登録日2010-01-21
公開日2010-07-28
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010

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