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2CPL
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BU of 2cpl by Molmil
SIMILARITIES AND DIFFERENCES BETWEEN HUMAN CYCLOPHILIN A AND OTHER BETA-BARREL STRUCTURES. STRUCTURAL REFINEMENT AT 1.63 ANGSTROMS RESOLUTION
分子名称: CYCLOPHILIN A
著者Ke, H.
登録日1992-06-30
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Similarities and differences between human cyclophilin A and other beta-barrel structures. Structural refinement at 1.63 A resolution.
J.Mol.Biol., 228, 1992
4B6S
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BU of 4b6s by Molmil
Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
分子名称: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, PHOSPHATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2012-08-14
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4R59
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BU of 4r59 by Molmil
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
分子名称: (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ...
著者Mahon, B.P, McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
3ESB
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BU of 3esb by Molmil
cut-1c; NCN-Pt-Pincer-Cutinase Hybrid
分子名称: (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+), CHLORIDE ION, Cutinase 1
著者Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P.
登録日2008-10-05
公開日2009-07-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids
Chemistry, 15, 2009
2E5W
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BU of 2e5w by Molmil
Crystal structure of spermidine synthase from Pyrococcus horikoshii OT3
分子名称: 1-{4-[(3-aminopropyl)amino]butyl}guanidine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, ...
著者Mizutani, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-12-25
公開日2007-06-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of spermidine synthase from Pyrococcus horikoshii OT3
To be Published
5REL
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BU of 5rel by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102340
分子名称: 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-03-15
公開日2020-03-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
4JBG
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BU of 4jbg by Molmil
1.75A resolution structure of a thermostable alcohol dehydrogenase from Pyrobaculum aerophilum
分子名称: Alcohol dehydrogenase (Zinc), CHLORIDE ION, PHOSPHATE ION, ...
著者Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S.
登録日2013-02-19
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
3ET3
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Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
分子名称: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor gamma, Steroid receptor coactivator 1
著者Zhang, K.Y.J, Wang, W.
登録日2008-10-06
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
2EBL
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BU of 2ebl by Molmil
Solution structure of the Zinc finger, C4-type domain of human COUP transcription factor 1
分子名称: COUP transcription factor 1, ZINC ION
著者Yoneyama, M, Koshiba, S, Watabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-09
公開日2008-02-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the Zinc finger, C4-type domain of human COUP transcription factor 1
To be Published
2ECM
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BU of 2ecm by Molmil
Solution structure of the RING domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus
分子名称: RING finger and CHY zinc finger domain-containing protein 1, ZINC ION
著者Miyamoto, K, Yoneyama, M, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-13
公開日2007-08-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the RING domain of the RING finger and CHY zinc finger domain-containing protein 1 from Mus musculus
To be Published
2GAR
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BU of 2gar by Molmil
A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
分子名称: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
著者Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A.
登録日1998-05-13
公開日1998-08-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
3R2N
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BU of 3r2n by Molmil
Crystal structure of cytidine deaminase from Mycobacterium leprae
分子名称: 1,2-ETHANEDIOL, Cytidine deaminase, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-03-14
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
2GAT
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BU of 2gat by Molmil
SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE
分子名称: DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ...
著者Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M.
登録日1997-11-07
公開日1998-01-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution.
Nat.Struct.Biol., 4, 1997
3R9T
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BU of 3r9t by Molmil
Structure of EchA1_1 from Mycobacterium paratuberculosis ATCC BAA-968 / K-10
分子名称: BENZOIC ACID, EchA1_1
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-03-25
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QD5
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BU of 3qd5 by Molmil
Crystal structure of a putative ribose-5-phosphate isomerase from Coccidioides immitis solved by combined iodide ion SAD and MR
分子名称: 1,2-ETHANEDIOL, IODIDE ION, putative ribose-5-phosphate isomerase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-17
公開日2011-02-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization of a ribose-5-phosphate isomerase B from the pathogenic fungus Coccidioides immitis.
Bmc Struct.Biol., 11, 2011
1DOS
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BU of 1dos by Molmil
STRUCTURE OF FRUCTOSE-BISPHOSPHATE ALDOLASE
分子名称: ALDOLASE CLASS II, AMMONIUM ION, ZINC ION
著者Blom, N, Tetreault, S, Coulombe, R, Sygusch, J.
登録日1996-06-24
公開日1997-07-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Novel active site in Escherichia coli fructose 1,6-bisphosphate aldolase.
Nat.Struct.Biol., 3, 1996
4RLO
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BU of 4rlo by Molmil
Human p70s6k1 with ruthenium-based inhibitor EM5
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
登録日2014-10-17
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
3QQS
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BU of 3qqs by Molmil
Anthranilate phosphoribosyltransferase (TRPD) from Mycobacterium tuberculosis (complex with inhibitor ACS172)
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2,2'-iminodibenzoic acid, Anthranilate phosphoribosyltransferase, ...
著者Castell, A, Short, F.L, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-02-16
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.
Biochemistry, 52, 2013
1XDF
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BU of 1xdf by Molmil
Crystal structure of pathogenesis-related protein LlPR-10.2A from yellow lupine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PR10.2A, SODIUM ION
著者Pasternak, O, Biesiadka, J, Dolot, R, Handschuh, L, Bujacz, G, Sikorski, M.M, Jaskolski, M.
登録日2004-09-06
公開日2005-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a yellow lupin pathogenesis-related PR-10 protein belonging to a novel subclass.
Acta Crystallogr.,Sect.D, 61, 2005
3F7I
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BU of 3f7i by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
著者Franklin, M.C, Fairbrother, W.J, Cohen, F.
登録日2008-11-09
公開日2009-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
2E5K
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BU of 2e5k by Molmil
Solution structure of SH3 domain in Suppressor of T-cell receptor signaling 1
分子名称: Suppressor of T-cell receptor signaling 1
著者Sukegawa, S, Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-12-21
公開日2007-06-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of SH3 domain in Suppressor of T-cell receptor signaling 1
To be Published
2K3S
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BU of 2k3s by Molmil
HADDOCK-derived structure of the CH-domain of the smoothelin-like 1 complexed with the C-domain of apocalmodulin
分子名称: Calmodulin, Smoothelin-like protein 1
著者Ishida, H, Borman, M.A, Ostrander, J, Vogel, H.J, MacDonald, J.A.
登録日2008-05-15
公開日2008-05-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the calponin homology (CH) domain from the smoothelin-like 1 protein: a unique apocalmodulin-binding mode and the possible role of the C-terminal type-2 CH-domain in smooth muscle relaxation.
J.Biol.Chem., 283, 2008
4IMF
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Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Acetylneuraminic acid
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, CHLORIDE ION, ...
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
3V49
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Structure of ar lbd with activator peptide and sarm inhibitor 1
分子名称: 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ...
著者Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
登録日2011-12-14
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
4RH2
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Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid
分子名称: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M.
登録日2014-10-01
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published

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