8FQX
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![BU of 8fqx by Molmil](/molmil-images/mine/8fqx) | Carbonic Anhydrase II in complex with the alkyl ureas 3g | Descriptor: | 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Combs, J.E, McKenna, R. | Deposit date: | 2023-01-06 | Release date: | 2023-02-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
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8FQZ
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![BU of 8fqz by Molmil](/molmil-images/mine/8fqz) | Carbonic Anhydrase II in complex with the alkyl urea 3j | Descriptor: | 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Combs, J.C, McKenna, R. | Deposit date: | 2023-01-06 | Release date: | 2023-02-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.467 Å) | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
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8FR1
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![BU of 8fr1 by Molmil](/molmil-images/mine/8fr1) | Carbonic Anhydrase IX in complex with the alkyl urea compound 3g | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ... | Authors: | Combs, J.C, McKenna, R. | Deposit date: | 2023-01-06 | Release date: | 2023-02-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
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8FQY
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![BU of 8fqy by Molmil](/molmil-images/mine/8fqy) | Carbonic Anhydrase II in complex with the alkyl urea 3h | Descriptor: | 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Combs, J.C, McKenna, R. | Deposit date: | 2023-01-06 | Release date: | 2023-02-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
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8FR2
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![BU of 8fr2 by Molmil](/molmil-images/mine/8fr2) | |
8FR4
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![BU of 8fr4 by Molmil](/molmil-images/mine/8fr4) | |
4HT3
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![BU of 4ht3 by Molmil](/molmil-images/mine/4ht3) | 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 | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | Authors: | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2012-10-31 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states. Biochemistry, 52, 2013
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4RD3
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![BU of 4rd3 by Molmil](/molmil-images/mine/4rd3) | Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDP and Pi | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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4RD2
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![BU of 4rd2 by Molmil](/molmil-images/mine/4rd2) | Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDPNP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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4RD4
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![BU of 4rd4 by Molmil](/molmil-images/mine/4rd4) | Structure of aIF2 gamma from sulfolobus solfataricus bound to gdpnp | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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2WEO
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![BU of 2weo by Molmil](/molmil-images/mine/2weo) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-04-01 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEG
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![BU of 2weg by Molmil](/molmil-images/mine/2weg) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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1CZM
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4RD6
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![BU of 4rd6 by Molmil](/molmil-images/mine/4rd6) | Structure of aIF2-gamma from Sulfolobus solfataricus bound to GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Translation initiation factor 2 subunit gamma | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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4RCZ
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![BU of 4rcz by Molmil](/molmil-images/mine/4rcz) | Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDPNP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.429 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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4RD1
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![BU of 4rd1 by Molmil](/molmil-images/mine/4rd1) | Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GTP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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4RCY
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![BU of 4rcy by Molmil](/molmil-images/mine/4rcy) | Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GTP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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4RD0
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![BU of 4rd0 by Molmil](/molmil-images/mine/4rd0) | Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDP | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.713 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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8OEP
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![BU of 8oep by Molmil](/molmil-images/mine/8oep) | Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide | Descriptor: | Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-11 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | 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
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8W07
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![BU of 8w07 by Molmil](/molmil-images/mine/8w07) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2024-02-13 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 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
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1B7T
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![BU of 1b7t by Molmil](/molmil-images/mine/1b7t) | MYOSIN DIGESTED BY PAPAIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Houdusse, A, Kalabokis, V, Himmel, D, Szent-Gyorgyi, A.G, Cohen, C. | Deposit date: | 1999-01-15 | Release date: | 1999-05-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic structure of scallop myosin subfragment S1 complexed with MgADP: a novel conformation of the myosin head. Cell(Cambridge,Mass.), 97, 1999
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1QVI
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![BU of 1qvi by Molmil](/molmil-images/mine/1qvi) | Crystal structure of scallop myosin S1 in the pre-power stroke state to 2.6 Angstrom resolution: flexibility and function in the head | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Gourinath, S, Himmel, D.M, Brown, J.H, Reshetnikova, L, Szent-Gyrgyi, A.G, Cohen, C. | Deposit date: | 2003-08-27 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | 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
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1HDK
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![BU of 1hdk by Molmil](/molmil-images/mine/1hdk) | Charcot-Leyden Crystal Protein - pCMBS Complex | Descriptor: | EOSINOPHIL LYSOPHOSPHOLIPASE, PARA-MERCURY-BENZENESULFONIC ACID | Authors: | Ackerman, S.J, Savage, M.P, Liu, L, Leonidas, D.D, Kwatia, M.A, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2000-11-16 | Release date: | 2001-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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2WEH
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![BU of 2weh by Molmil](/molmil-images/mine/2weh) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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1GSQ
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![BU of 1gsq by Molmil](/molmil-images/mine/1gsq) | THREE-DIMENSIONAL STRUCTURE, CATALYTIC PROPERTIES AND EVOLUTION OF A SIGMA CLASS GLUTATHIONE TRANSFERASE FROM SQUID, A PROGENITOR OF THE LENS-CRYSTALLINS OF CEPHALOPODS | Descriptor: | GLUTATHIONE S-(2,4 DINITROBENZENE), GLUTATHIONE S-TRANSFERASE | Authors: | Ji, X, Rosenvinge, E.C.V, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1995-01-09 | Release date: | 1995-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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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