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8FQX
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Carbonic Anhydrase II in complex with the alkyl ureas 3g
分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQZ
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Carbonic Anhydrase II in complex with the alkyl urea 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR1
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Carbonic Anhydrase IX in complex with the alkyl urea compound 3g
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQY
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BU of 8fqy by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR2
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BU of 8fr2 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR4
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BU of 8fr4 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.123 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
4HT3
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BU of 4ht3 by Molmil
The crystal structure of Salmonella typhimurium Tryptophan Synthase at 1.30A complexed with N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE (F9) inhibitor in the alpha site, internal aldimine
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-31
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
4RD3
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BU of 4rd3 by Molmil
Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDP and Pi
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD2
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BU of 4rd2 by Molmil
Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDPNP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.585 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD4
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BU of 4rd4 by Molmil
Structure of aIF2 gamma from sulfolobus solfataricus bound to gdpnp
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
2WEO
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BU of 2weo by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-04-01
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2WEG
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BU of 2weg by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
1CZM
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BU of 1czm by Molmil
DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I
分子名称: 3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE, CARBONIC ANHYDRASE I, MERCURY (II) ION, ...
著者Chakravarty, S, Kannan, K.K.
登録日1993-11-28
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme.
J.Mol.Biol., 243, 1994
4RD6
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BU of 4rd6 by Molmil
Structure of aIF2-gamma from Sulfolobus solfataricus bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Translation initiation factor 2 subunit gamma
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RCZ
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BU of 4rcz by Molmil
Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDPNP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD1
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BU of 4rd1 by Molmil
Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GTP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RCY
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BU of 4rcy by Molmil
Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GTP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD0
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BU of 4rd0 by Molmil
Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDP
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.713 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
8OEP
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BU of 8oep by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide
分子名称: Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3
著者Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C.
登録日2023-03-11
公開日2023-05-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity.
Front Mol Biosci, 10, 2023
8W07
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BU of 8w07 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402
分子名称: (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
著者Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.K, Nettles, K.W.
登録日2024-02-13
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
1B7T
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BU of 1b7t by Molmil
MYOSIN DIGESTED BY PAPAIN
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
著者Houdusse, A, Kalabokis, V, Himmel, D, Szent-Gyorgyi, A.G, Cohen, C.
登録日1999-01-15
公開日1999-05-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomic structure of scallop myosin subfragment S1 complexed with MgADP: a novel conformation of the myosin head.
Cell(Cambridge,Mass.), 97, 1999
1QVI
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BU of 1qvi by Molmil
Crystal structure of scallop myosin S1 in the pre-power stroke state to 2.6 Angstrom resolution: flexibility and function in the head
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
著者Gourinath, S, Himmel, D.M, Brown, J.H, Reshetnikova, L, Szent-Gyrgyi, A.G, Cohen, C.
登録日2003-08-27
公開日2003-12-16
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structure of scallop Myosin s1 in the pre-power stroke state to 2.6 a resolution: flexibility and function in the head.
Structure, 11, 2003
1HDK
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BU of 1hdk by Molmil
Charcot-Leyden Crystal Protein - pCMBS Complex
分子名称: EOSINOPHIL LYSOPHOSPHOLIPASE, PARA-MERCURY-BENZENESULFONIC ACID
著者Ackerman, S.J, Savage, M.P, Liu, L, Leonidas, D.D, Kwatia, M.A, Swaminathan, G.J, Acharya, K.R.
登録日2000-11-16
公開日2001-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Charcot-Leyden Crystal Protein (Galectin-10) is not a Dual Function Galectin with Lysophospholipase Activity But Binds a Lysophospholipase Inhibitor in a Novel Structural Fashion.
J.Biol.Chem., 277, 2002
2WEH
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BU of 2weh by Molmil
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
1GSQ
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BU of 1gsq by Molmil
THREE-DIMENSIONAL STRUCTURE, CATALYTIC PROPERTIES AND EVOLUTION OF A SIGMA CLASS GLUTATHIONE TRANSFERASE FROM SQUID, A PROGENITOR OF THE LENS-CRYSTALLINS OF CEPHALOPODS
分子名称: GLUTATHIONE S-(2,4 DINITROBENZENE), GLUTATHIONE S-TRANSFERASE
著者Ji, X, Rosenvinge, E.C.V, Armstrong, R.N, Gilliland, G.L.
登録日1995-01-09
公開日1995-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three-dimensional structure, catalytic properties, and evolution of a sigma class glutathione transferase from squid, a progenitor of the lens S-crystallins of cephalopods.
Biochemistry, 34, 1995

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