6V9M
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5KCC
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![BU of 5kcc by Molmil](/molmil-images/mine/5kcc) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) | 分子名称: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | 登録日 | 2016-06-06 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.386 Å) | 主引用文献 | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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4N1R
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6TL5
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1E3Z
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![BU of 1e3z by Molmil](/molmil-images/mine/1e3z) | Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A | 分子名称: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | 著者 | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | 登録日 | 2000-06-27 | 公開日 | 2001-06-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
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4MQR
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![BU of 4mqr by Molmil](/molmil-images/mine/4mqr) | Mycobaterium tuberculosis transaminase BioA complexed with E)-5-hydroxy-4-(((Z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4-dihydropyridin-3-yl)methyl phosphate | 分子名称: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate | 著者 | Finzel, B.C, Dai, R. | 登録日 | 2013-09-16 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides. Chembiochem, 15, 2014
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3CYU
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![BU of 3cyu by Molmil](/molmil-images/mine/3cyu) | Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon | 分子名称: | Carbonic anhydrase 2, MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-A, PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A, ... | 著者 | Aaron, J.A, Jude, K.M, Di Costanzo, L, Christianson, D.W. | 登録日 | 2008-04-26 | 公開日 | 2008-05-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure of a 129Xe-cryptophane biosensor complexed with human carbonic anhydrase II. J.Am.Chem.Soc., 130, 2008
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7AHN
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4QOM
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![BU of 4qom by Molmil](/molmil-images/mine/4qom) | Bacillus pumilus catalase with pyrogallol bound | 分子名称: | BENZENE-1,2,3-TRIOL, CHLORIDE ION, Catalase, ... | 著者 | Loewen, P.C. | 登録日 | 2014-06-20 | 公開日 | 2015-02-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy. Proteins, 83, 2015
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8CFR
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![BU of 8cfr by Molmil](/molmil-images/mine/8cfr) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment G03 | 分子名称: | 3-ethoxybenzene-1-carboximidamide, ADENINE, Adenosylhomocysteinase, ... | 著者 | Malecki, P.H, Gawel, M, Stepniewska, M, Brzezinski, K. | 登録日 | 2023-02-03 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry G03 To be published
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7AHQ
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1I95
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![BU of 1i95 by Molmil](/molmil-images/mine/1i95) | CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH EDEINE | 分子名称: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | 著者 | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | 登録日 | 2001-03-18 | 公開日 | 2001-04-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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7Q2A
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![BU of 7q2a by Molmil](/molmil-images/mine/7q2a) | Crystal structure of AphC in complex with 4-ethylcatechol | 分子名称: | 4-ethylbenzene-1,2-diol, CALCIUM ION, Catechol 2,3-dioxygenase, ... | 著者 | Zahn, M, Grigg, J.C, Eltis, L.D, McGeehan, J.E. | 登録日 | 2021-10-25 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Characterization of a phylogenetically distinct extradiol dioxygenase involved in the bacterial catabolism of lignin-derived aromatic compounds. J.Biol.Chem., 298, 2022
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6YPS
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![BU of 6yps by Molmil](/molmil-images/mine/6yps) | Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine | 分子名称: | 4-oxidanylbenzenecarboximidamide, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | 登録日 | 2020-04-16 | 公開日 | 2020-12-09 | 最終更新日 | 2020-12-30 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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4QRO
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![BU of 4qro by Molmil](/molmil-images/mine/4qro) | CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL | 分子名称: | 2-nitrobenzene-1,3-diol, ACETATE ION, BICARBONATE ION, ... | 著者 | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, M, Almo, S.C. | 登録日 | 2014-07-01 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal Structure of Dihydroxybenzoate Decarboxylase from Frompolaromonas Sp WITH BOUND MANGANESE AND 2-NITRORESORCINOL To be Published
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1KE5
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![BU of 1ke5 by Molmil](/molmil-images/mine/1ke5) | CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide | 分子名称: | Cell division protein kinase 2, N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | 著者 | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | 登録日 | 2001-11-14 | 公開日 | 2002-05-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. J.Med.Chem., 44, 2001
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4FI7
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![BU of 4fi7 by Molmil](/molmil-images/mine/4fi7) | Kinetic Stabilization of transthyretin through covalent modification of K15 by 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide | 分子名称: | 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin | 著者 | Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W. | 登録日 | 2012-06-08 | 公開日 | 2013-02-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | 主引用文献 | Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate. J.Am.Chem.Soc., 135, 2013
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1I97
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![BU of 1i97 by Molmil](/molmil-images/mine/1i97) | CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH TETRACYCLINE | 分子名称: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | 著者 | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | 登録日 | 2001-03-18 | 公開日 | 2001-04-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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1BM6
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![BU of 1bm6 by Molmil](/molmil-images/mine/1bm6) | SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 COMPLEXED TO A POTENT NON-PEPTIDIC INHIBITOR, NMR, 20 STRUCTURES | 分子名称: | 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ... | 著者 | Li, Y, Zhang, X, Melton, R, Ganu, V, Gonnella, N.C. | 登録日 | 1998-07-29 | 公開日 | 1999-07-29 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the catalytic domain of human stromelysin-1 complexed to a potent, nonpeptidic inhibitor. Biochemistry, 37, 1998
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8PDJ
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![BU of 8pdj by Molmil](/molmil-images/mine/8pdj) | The phosphatase and C2 domains of SHIP1 with covalent Z56948267 | 分子名称: | 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | 著者 | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | 登録日 | 2023-06-12 | 公開日 | 2023-06-28 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 32, 2024
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1D3C
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![BU of 1d3c by Molmil](/molmil-images/mine/1d3c) | MICHAELIS COMPLEX OF BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE WITH GAMMA-CYCLODEXTRIN | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | 著者 | Uitdehaag, J.C.M, Kalk, K.H, van der Veen, B.A, Dijkhuizen, L, Dijkstra, B.W. | 登録日 | 1999-09-29 | 公開日 | 1999-12-22 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | The cyclization mechanism of cyclodextrin glycosyltransferase (CGTase) as revealed by a gamma-cyclodextrin-CGTase complex at 1.8-A resolution. J.Biol.Chem., 274, 1999
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2BTS
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![BU of 2bts by Molmil](/molmil-images/mine/2bts) | STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032 | 分子名称: | 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | 著者 | Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P. | 登録日 | 2005-06-06 | 公開日 | 2005-11-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors. J.Mol.Graph.Model., 24, 2006
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1I96
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![BU of 1i96 by Molmil](/molmil-images/mine/1i96) | CRYSTAL STRUCTURE OF THE 30S RIBOSOMAL SUBUNIT FROM THERMUS THERMOPHILUS IN COMPLEX WITH THE TRANSLATION INITIATION FACTOR IF3 (C-TERMINAL DOMAIN) | 分子名称: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | 著者 | Pioletti, M, Schluenzen, F, Harms, J, Zarivach, R, Gluehmann, M, Avila, H, Bartels, H, Jacobi, C, Hartsch, T, Yonath, A, Franceschi, F. | 登録日 | 2001-03-18 | 公開日 | 2001-04-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | 主引用文献 | Crystal structures of complexes of the small ribosomal subunit with tetracycline, edeine and IF3. EMBO J., 20, 2001
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2CLX
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![BU of 2clx by Molmil](/molmil-images/mine/2clx) | 4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects | 分子名称: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2 | 著者 | Krystof, V, Cankar, P, Frysova, I, Slouka, J, Kontopidis, G, Dzubak, P, Hajduch, M, Deazevedo, W.F, Paprskarova, M, Orsag, M, Rolcik, J, Latr, A, Fischer, P.M, Strnad, M. | 登録日 | 2006-05-02 | 公開日 | 2006-11-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects J.Med.Chem., 49, 2006
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6G5L
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![BU of 6g5l by Molmil](/molmil-images/mine/6g5l) | Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-(cyclohexylamino)-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | 分子名称: | 1,2-ETHANEDIOL, 4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2018-03-29 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases. Eur J Med Chem, 156, 2018
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