3FJA
 
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1DB4
 | | HUMAN S-PLA2 IN COMPLEX WITH INDOLE 8 | | 分子名称: | CALCIUM ION, PHOSPHOLIPASE A2, [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID | | 著者 | Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P. | | 登録日 | 1999-11-02 | | 公開日 | 1999-11-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
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3FJC
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4N0T
 | | Core structure of the U6 small nuclear ribonucleoprotein at 1.7 Angstrom resolution | | 分子名称: | SULFATE ION, U4/U6 snRNA-associated-splicing factor PRP24, U6 snRNA | | 著者 | Montemayor, E.J, Curran, E.C, Liao, H, Andrews, K.L, Treba, C.N, Butcher, S.E, Brow, D.A. | | 登録日 | 2013-10-02 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Core structure of the U6 small nuclear ribonucleoprotein at 1.7- angstrom resolution.
Nat.Struct.Mol.Biol., 21, 2014
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7FW2
 | | Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1COc1ccc(Cl)cc1)S)CC=C with IC50=0.833 microM | | 分子名称: | 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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3F80
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4GRU
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7FXE
 | | Crystal Structure of human FABP4 in complex with 2-(9-benzyl-6-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)acetic acid, i.e. SMILES C12=C(c3c(N1Cc1ccccc1)ccc(c3)C)CCC[C@H]2CC(=O)O with IC50=3.60776 microM | | 分子名称: | Fatty acid-binding protein, adipocyte, SULFATE ION, ... | | 著者 | Ehler, A, Benz, J, Obst, U, ROCHE, N, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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6K1Q
 | | Human endothelin receptor type-B in complex with inverse agonist IRL2500 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, Endothelin B receptor,Endolysin,Endothelin B receptor, ... | | 著者 | Nagiri, C, Shihoya, W, Nureki, O. | | 登録日 | 2019-05-11 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of human endothelin ETBreceptor in complex with peptide inverse agonist IRL2500.
Commun Biol, 2, 2019
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1YC2
 | | Sir2Af2-NAD-ADPribose-nicotinamide | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase 2, ... | | 著者 | Avalos, J.L, Bever, M.K, Wolberger, C. | | 登録日 | 2004-12-21 | | 公開日 | 2005-03-29 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mechanism of Sirtuin Inhibition by Nicotinamide: Altering the NAD(+) Cosubstrate Specificity of a Sir2 Enzyme.
Mol.Cell, 17, 2005
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1US5
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6U7N
 | | Crystal structure of neurotrimin (NTM) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ... | | 著者 | Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S. | | 登録日 | 2019-09-03 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.321 Å) | | 主引用文献 | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes.
J.Mol.Biol., 432, 2020
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4N9W
 | | Crystal structure of phosphatidyl mannosyltransferase PimA | | 分子名称: | 1,2-ETHANEDIOL, GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M. | | 登録日 | 2013-10-21 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Secondary structure reshuffling modulates glycosyltransferase function at the membrane.
Nat.Chem.Biol., 11, 2015
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3FGM
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2WCM
 | | Structure of BMori GOBP2 (General Odorant Binding Protein 2) with (10E)-hexadecen-12-yn-1-ol | | 分子名称: | (10E)-hexadec-10-en-12-yn-1-ol, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | | 著者 | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | | 登録日 | 2009-03-12 | | 公開日 | 2009-08-11 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
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2W83
 | | Crystal structure of the ARF6 GTPase in complex with a specific effector, JIP4 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, ADP-RIBOSYLATION FACTOR 6, C-JUN-AMINO-TERMINAL KINASE-INTERACTING PROTEIN 4, ... | | 著者 | Isabet, T, Montagnac, G, Regazzoni, K, Raynal, B, El Khadali, F, Franco, M, England, P, Chavrier, P, Houdusse, A, Menetrey, J. | | 登録日 | 2009-01-08 | | 公開日 | 2009-07-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | The Structural Basis of Arf Effector Specificity: The Crystal Structure of Arf6 in a Complex with Jip4.
Embo J., 28, 2009
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3TE5
 | | structure of the regulatory fragment of sacchromyces cerevisiae ampk in complex with NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | | 著者 | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | | 登録日 | 2011-08-12 | | 公開日 | 2011-11-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
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4MTX
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2B8S
 | | Structure of HIV-1(MAL) genomic RNA DIS | | 分子名称: | 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MAGNESIUM ION, SODIUM ION, ... | | 著者 | Ennifar, E, Walter, P, Ehresmann, B, Ehresmann, C, Dumas, P. | | 登録日 | 2005-10-10 | | 公開日 | 2005-10-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Crystal structures of coaxially stacked kissing complexes of the HIV-1 RNA dimerization initiation site
NAT.STRUCT.BIOL., 8, 2001
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6BUV
 | | Structure of Mycobacterium tuberculosis NadD in complex with inhibitor [(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate | | 分子名称: | 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium, CHLORIDE ION, SODIUM ION, ... | | 著者 | Rodionova, I.A, Reed, R.W, Sorci, L, Osterman, A.L, Korotkov, K.V. | | 登録日 | 2017-12-11 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Novel Antimycobacterial Compounds Suppress NAD Biogenesis by Targeting a Unique Pocket of NaMN Adenylyltransferase.
Acs Chem.Biol., 14, 2019
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2RIY
 | | B-specific-1,3-galactosyltransferase (GTB)+H-antigen acceptor | | 分子名称: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | 著者 | Evans, S.V, Alfaro, J.A. | | 登録日 | 2007-10-13 | | 公開日 | 2008-02-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
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5GXY
 | | Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and Tris | | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | | 著者 | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | 登録日 | 2016-09-21 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
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7FZO
 | | Crystal Structure of human FABP4 in complex with 4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, i.e. SMILES [C@H]12[C@@]3(O[C@H]([C@H]2C(=O)O)C=C3)CN(C1=O)CCc1ccccc1 with IC50=3.5 microM | | 分子名称: | (3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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6UKB
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4RME
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Xia, G, Muccio, D.D. | | 登録日 | 2014-10-21 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
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