6SAC
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![BU of 6sac by Molmil](/molmil-images/mine/6sac) | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-07-16 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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6RFH
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![BU of 6rfh by Molmil](/molmil-images/mine/6rfh) | |
6RG5
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![BU of 6rg5 by Molmil](/molmil-images/mine/6rg5) | |
6RIG
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![BU of 6rig by Molmil](/molmil-images/mine/6rig) | |
3T5J
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![BU of 3t5j by Molmil](/molmil-images/mine/3t5j) | Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 13-mer) with Dpo4 and incoming dDTP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN1)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-07-27 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV. Chem.Res.Toxicol., 25, 2012
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3T5L
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![BU of 3t5l by Molmil](/molmil-images/mine/3t5l) | Ternary complex of HNE Adduct modified DNA (5'-CXG-3' vs 14-mer) with Dpo4 and incoming dDGT | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*CP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-07-27 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV. Chem.Res.Toxicol., 25, 2012
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3T5K
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![BU of 3t5k by Molmil](/molmil-images/mine/3t5k) | Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 14-mer) with Dpo4 and incoming dDTP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-07-27 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV. Chem.Res.Toxicol., 25, 2012
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6SDH
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![BU of 6sdh by Molmil](/molmil-images/mine/6sdh) | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Gloeckner, S, Haake, M, Heine, A, Klebe, G. | Deposit date: | 2019-07-27 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM To Be Published
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3T5H
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![BU of 3t5h by Molmil](/molmil-images/mine/3t5h) | Ternary complex of HNE Adduct modified DNA (5'-CXG-3' vs 13-mer) with Dpo4 and incoming dDGT | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*CP*(HN1)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-07-27 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV. Chem.Res.Toxicol., 25, 2012
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6SDL
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![BU of 6sdl by Molmil](/molmil-images/mine/6sdl) | Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Gerber, H.D, Heine, A, Klebe, G. | Deposit date: | 2019-07-28 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide To Be Published
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6SG6
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![BU of 6sg6 by Molmil](/molmil-images/mine/6sg6) | |
6SBM
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![BU of 6sbm by Molmil](/molmil-images/mine/6sbm) | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-07-21 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide To Be Published
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6SFU
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![BU of 6sfu by Molmil](/molmil-images/mine/6sfu) | |
6SBL
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![BU of 6sbl by Molmil](/molmil-images/mine/6sbl) | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-hexylbenzenesulfonamide, CITRATE ANION, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-07-21 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide To Be Published
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6SDI
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![BU of 6sdi by Molmil](/molmil-images/mine/6sdi) | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Gloeckner, S, Haake, M, Heine, A, Klebe, G. | Deposit date: | 2019-07-27 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM To Be Published
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6SEY
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![BU of 6sey by Molmil](/molmil-images/mine/6sey) | Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(4-oxidanylbutyl)benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-07-30 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide To Be Published
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6SFQ
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![BU of 6sfq by Molmil](/molmil-images/mine/6sfq) | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-08-02 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione To Be Published
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6SG0
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![BU of 6sg0 by Molmil](/molmil-images/mine/6sg0) | |
1NQT
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![BU of 1nqt by Molmil](/molmil-images/mine/1nqt) | Crystal structure of bovine Glutamate dehydrogenase-ADP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1 | Authors: | Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J. | Deposit date: | 2003-01-23 | Release date: | 2003-05-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation Biochemistry, 42, 2003
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1O6W
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![BU of 1o6w by Molmil](/molmil-images/mine/1o6w) | |
1OME
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![BU of 1ome by Molmil](/molmil-images/mine/1ome) | CRYSTAL STRUCTURE OF THE OMEGA LOOP DELETION MUTANT (RESIDUES 163-178 DELETED) OF BETA-LACTAMASE FROM STAPHYLOCOCCUS AUREUS PC1 | Descriptor: | BETA-LACTAMASE, CHLORIDE ION | Authors: | Banerjee, S, Pieper, U, Herzberg, O. | Deposit date: | 1998-02-09 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of the omega-loop in the activity, substrate specificity, and structure of class A beta-lactamase. Biochemistry, 37, 1998
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1NR1
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![BU of 1nr1 by Molmil](/molmil-images/mine/1nr1) | Crystal structure of the R463A mutant of human Glutamate dehydrogenase | Descriptor: | Glutamate dehydrogenase 1 | Authors: | Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J. | Deposit date: | 2003-01-23 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation Biochemistry, 42, 2003
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1PQ4
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![BU of 1pq4 by Molmil](/molmil-images/mine/1pq4) | Crystal structure of ZnuA | Descriptor: | ZINC ION, periplasmic binding protein component of an ABC type zinc uptake transporter | Authors: | Banerjee, S, Wei, B, Bhattacharyya-Pakrasi, M, Pakrasi, H.B, Smith, T.J. | Deposit date: | 2003-06-17 | Release date: | 2003-11-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Determinants of Metal Specificity in the Zinc Transport Protein ZnuA from Synechocystis 6803. J.Mol.Biol., 333, 2003
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4NFU
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![BU of 4nfu by Molmil](/molmil-images/mine/4nfu) | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | Authors: | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | Deposit date: | 2013-11-01 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity. Cell Host Microbe, 14, 2013
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4NLE
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![BU of 4nle by Molmil](/molmil-images/mine/4nle) | |