5LLH
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![BU of 5llh by Molmil](/molmil-images/mine/5llh) | Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5AHX
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![BU of 5ahx by Molmil](/molmil-images/mine/5ahx) | Apo structure of soluble epoxide hydrolase | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, SULFATE ION | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-10 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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1OIO
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![BU of 1oio by Molmil](/molmil-images/mine/1oio) | GafD (F17c-type) Fimbrial adhesin from Escherichia coli | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FIMBRIAL LECTIN | Authors: | Merckel, M.C, Tanskanen, J, Edelman, S, Westerlund-Wikstrom, B, Korhonen, T.K, Goldman, A. | Deposit date: | 2003-06-22 | Release date: | 2003-08-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis of Receptor-Binding by Escherichia Coli Associated with Diarrhea and Septicemia J.Mol.Biol., 331, 2003
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3UGJ
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![BU of 3ugj by Molmil](/molmil-images/mine/3ugj) | Formyl Glycinamide ribonucletide amidotransferase from Salmonella Typhimurum: Role of the ATP complexation and glutaminase domain in catalytic coupling | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ... | Authors: | Morar, M, Tanwar, A.S, Panjikar, S, Anand, R. | Deposit date: | 2011-11-02 | Release date: | 2012-06-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling Acta Crystallogr.,Sect.D, 68, 2012
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3W4K
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![BU of 3w4k by Molmil](/molmil-images/mine/3w4k) | Crystal Structure of human DAAO in complex with coumpound 13 | Descriptor: | 3-hydroxy-6-(2-phenylethyl)pyridazin-4(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hondo, T, Warizaya, M, Niimi, T, Namatame, I, Yamaguchi, T, Nakanishi, K, Hamajima, T, Harada, K, Sakashita, H, Matsumoto, Y, Orita, M, Watanabe, T, Takeuchi, M. | Deposit date: | 2013-01-09 | Release date: | 2013-05-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | 4-Hydroxypyridazin-3(2H)-one Derivatives as Novel d-Amino Acid Oxidase Inhibitors. J.Med.Chem., 56, 2013
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7O18
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![BU of 7o18 by Molmil](/molmil-images/mine/7o18) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282 | Descriptor: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-03-28 | Release date: | 2021-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J.Med.Chem., 64, 2021
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4CI4
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![BU of 4ci4 by Molmil](/molmil-images/mine/4ci4) | |
3E78
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![BU of 3e78 by Molmil](/molmil-images/mine/3e78) | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37 | Descriptor: | CALCIUM ION, CHLORIDE ION, High affinity transport system protein p37, ... | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R. | Deposit date: | 2008-08-18 | Release date: | 2008-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37. Acta Crystallogr.,Sect.D, 64, 2008
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2W0Q
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![BU of 2w0q by Molmil](/molmil-images/mine/2w0q) | E. coli copper amine oxidase in complex with Xenon | Descriptor: | CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE, ... | Authors: | Pirrat, P, Smith, M.A, Pearson, A.R, McPherson, M.J, Phillips, S.E.V. | Deposit date: | 2008-08-20 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure of a Xenon Derivative of Escherichia Coli Copper Amine Oxidase: Confirmation of the Proposed Oxygen-Entry Pathway. Acta Crystallogr.,Sect.F, 64, 2008
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2IHQ
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![BU of 2ihq by Molmil](/molmil-images/mine/2ihq) | |
7OGN
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![BU of 7ogn by Molmil](/molmil-images/mine/7ogn) | Crystal structure of T2R-TTL -mebendazole complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Oliva, M.A, Bonato, F, Diaz, J.F. | Deposit date: | 2021-05-07 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function. Int J Mol Sci, 23, 2022
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3EUF
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![BU of 3euf by Molmil](/molmil-images/mine/3euf) | Crystal structure of BAU-bound human uridine phosphorylase 1 | Descriptor: | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE, PHOSPHATE ION, Uridine phosphorylase 1 | Authors: | Roosild, T.P. | Deposit date: | 2008-10-10 | Release date: | 2009-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy. Bmc Struct.Biol., 9, 2009
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2W4S
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![BU of 2w4s by Molmil](/molmil-images/mine/2w4s) | novel RNA-binding domain in Cryptosporidium parvum at 2.5 angstrom resolution | Descriptor: | Ankyrin-repeat protein | Authors: | Varrot, A, Mackereth, C, Mourao, A, Sattler, M, Cusack, S. | Deposit date: | 2008-12-02 | Release date: | 2009-12-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure and RNA Recognition by the Snrna and Snorna Transport Factor Phax. RNA, 16, 2010
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2W5G
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![BU of 2w5g by Molmil](/molmil-images/mine/2w5g) | RNASE A-5'-ATP COMPLEX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEASE PANCREATIC | Authors: | Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R. | Deposit date: | 2008-12-10 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Influence of Naturally-Occurring 5'-Pyrophosphate- Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study. Biopolymers, 91, 2009
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3ERG
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![BU of 3erg by Molmil](/molmil-images/mine/3erg) | Crystal structure of Gtt2 from Saccharomyces cerevisiae in complex with glutathione sulfnate | Descriptor: | GLUTATHIONE SULFONIC ACID, Glutathione S-transferase 2 | Authors: | Ma, X.X, Jiang, Y.L, He, Y.X, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2008-10-02 | Release date: | 2009-10-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of yeast glutathione-S-transferase Gtt2 reveal a new catalytic type of GST family. Embo Rep., 10, 2009
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4M7F
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![BU of 4m7f by Molmil](/molmil-images/mine/4m7f) | Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with bound ManNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Shrive, A.K, Greenhough, T.J, Holmskov, U. | Deposit date: | 2013-08-12 | Release date: | 2013-12-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Tetrameric Fibrinogen-like Recognition Domain of Fibrinogen C Domain Containing 1 (FIBCD1) Protein. J.Biol.Chem., 289, 2014
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2WD2
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![BU of 2wd2 by Molmil](/molmil-images/mine/2wd2) | A chimeric microtubule disruptor with efficacy on a taxane resistant cell line | Descriptor: | 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | Authors: | Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. | Deposit date: | 2009-03-19 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Chimeric Microtubule Disruptors. Chem.Commun.(Camb.), 46, 2010
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3ETR
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![BU of 3etr by Molmil](/molmil-images/mine/3etr) | Crystal structure of xanthine oxidase in complex with lumazine | Descriptor: | CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Pauff, J.M, Cao, H, Hille, R. | Deposit date: | 2008-10-08 | Release date: | 2009-01-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE. J.Biol.Chem., 284, 2009
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4DHI
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![BU of 4dhi by Molmil](/molmil-images/mine/4dhi) | Structure of C. elegans OTUB1 bound to human UBC13 | Descriptor: | Ubiquitin thioesterase otubain-like, Ubiquitin-conjugating enzyme E2 N | Authors: | Wiener, R, Zhang, X, Wang, T, Wolberger, C. | Deposit date: | 2012-01-27 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The mechanism of OTUB1-mediated inhibition of ubiquitination. Nature, 483, 2012
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4DLP
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![BU of 4dlp by Molmil](/molmil-images/mine/4dlp) | |
3G8K
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![BU of 3g8k by Molmil](/molmil-images/mine/3g8k) | Crystal structure of murine natural killer cell receptor, Ly49L4 | Descriptor: | Lectin-related NK cell receptor LY49L1 | Authors: | Cho, S. | Deposit date: | 2009-02-12 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Distinct conformations of Ly49 natural killer cell receptors mediate MHC class I recognition in trans and cis. Immunity, 31, 2009
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5IT1
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![BU of 5it1 by Molmil](/molmil-images/mine/5it1) | Streptomyces peucetius CYP105P2 complex with biphenyl compound | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | Authors: | Lee, C.W, Lee, J.H. | Deposit date: | 2016-03-16 | Release date: | 2016-06-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Cytochrome P450 (CYP105P2) from Streptomyces peucetius and Its Conformational Changes in Response to Substrate Binding Int J Mol Sci, 17, 2016
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8H99
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![BU of 8h99 by Molmil](/molmil-images/mine/8h99) | Crystal structure of E. coli ThrS catalytic domain mutant | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ... | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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8H9C
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![BU of 8h9c by Molmil](/molmil-images/mine/8h9c) | Crystal structure of chemically modified E. coli ThrS catalytic domain 4 | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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8H98
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![BU of 8h98 by Molmil](/molmil-images/mine/8h98) | Crystal structure of chemically modified E. coli ThrS catalytic domain 1 | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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