2J6P
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![BU of 2j6p by Molmil](/molmil-images/mine/2j6p) | STRUCTURE OF AS-SB REDUCTASE FROM LEISHMANIA MAJOR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SB(V)-AS(V) REDUCTASE, ... | Authors: | Bisacchi, D, Zhou, Y, Rosen, B.P, Mukhopadhyay, R, Bordo, D. | Deposit date: | 2006-10-02 | Release date: | 2007-10-02 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural characterization of the As/Sb reductase LmACR2 from Leishmania major. J. Mol. Biol., 386, 2009
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2J8F
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6MGG
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![BU of 6mgg by Molmil](/molmil-images/mine/6mgg) | Succinyl-CoA synthase from Francisella tularensis, phosphorylated, in complex with CoA | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, MAGNESIUM ION, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-13 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Succinyl-CoA synthase from Francisella tularensis to be published
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8DBZ
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4QMP
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![BU of 4qmp by Molmil](/molmil-images/mine/4qmp) | MST3 IN COMPLEX WITH CDK1/2 INHIBITOR III, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase 24 | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-16 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QMX
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![BU of 4qmx by Molmil](/molmil-images/mine/4qmx) | MST3 in complex with SARACATINIB | Descriptor: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, SERINE/THREONINE-PROTEIN KINASE 24 | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-16 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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2IXU
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![BU of 2ixu by Molmil](/molmil-images/mine/2ixu) | |
3OCH
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![BU of 3och by Molmil](/molmil-images/mine/3och) | Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic | Descriptor: | (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name), CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cody, V. | Deposit date: | 2010-08-10 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Chemically Self-Assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic. J.Am.Chem.Soc., 132, 2010
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4QMM
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![BU of 4qmm by Molmil](/molmil-images/mine/4qmm) | MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, ... | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-16 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QMW
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![BU of 4qmw by Molmil](/molmil-images/mine/4qmw) | MST3 IN COMPLEX WITH PP-121, 1-CYCLOPENTYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, ... | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-16 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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1WMD
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![BU of 1wmd by Molmil](/molmil-images/mine/1wmd) | Crystal Structure of alkaline serine protease KP-43 from Bacillus sp. KSM-KP43 (1.30 angstrom, 100 K) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, GLYCEROL, ... | Authors: | Nonaka, T, Fujihashi, M, Kita, A, Saeki, K, Ito, S, Horikoshi, K, Miki, K. | Deposit date: | 2004-07-08 | Release date: | 2004-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Crystal Structure of an Oxidatively Stable Subtilisin-like Alkaline Serine Protease, KP-43, with a C-terminal {beta}-Barrel Domain J.Biol.Chem., 279, 2004
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2J7E
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![BU of 2j7e by Molmil](/molmil-images/mine/2j7e) | Beta-glucosidase from Thermotoga maritima in complex with methyl acetate-substituted glucoimidazole | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-07 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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1WMT
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![BU of 1wmt by Molmil](/molmil-images/mine/1wmt) | Scorpion toxin (IsTX) from Opisthacanthus madagascariensis | Descriptor: | IsTX | Authors: | Yamaji, N, Dai, L, Sugase, K, Andriantsiferana, M, Nakajima, T, Iwashita, T. | Deposit date: | 2004-07-20 | Release date: | 2004-10-19 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of IsTX: A male scorpion toxin from Opisthacanthus madagascariensis (Ischnuridae) Eur.J.Biochem., 271, 2004
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6MPQ
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![BU of 6mpq by Molmil](/molmil-images/mine/6mpq) | 1.95 Ang crystal structure of OXA-24/40 beta-lactamase in complex the inhibitor ETX2514 | Descriptor: | (2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, Beta-lactamase, CHLORIDE ION | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2018-10-08 | Release date: | 2019-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting Multidrug-ResistantAcinetobacterspp.: Sulbactam and the Diazabicyclooctenone beta-Lactamase Inhibitor ETX2514 as a Novel Therapeutic Agent. MBio, 10, 2019
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8DHL
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![BU of 8dhl by Molmil](/molmil-images/mine/8dhl) | Tannerella forsythia beta-glucuronidase (L2) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 2, ... | Authors: | Lietzan, A.D, Redinbo, M.R. | Deposit date: | 2022-06-27 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology. Sci Adv, 9, 2023
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8DHV
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![BU of 8dhv by Molmil](/molmil-images/mine/8dhv) | Treponema lecithinolyticum beta-glucuronidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Glycosyl hydrolase family 2, ... | Authors: | Lietzan, A.D, Redinbo, M.R. | Deposit date: | 2022-06-28 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology. Sci Adv, 9, 2023
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8DL9
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7F65
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![BU of 7f65 by Molmil](/molmil-images/mine/7f65) | Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid | Descriptor: | BENZOIC ACID, Cocaine esterase, SULFATE ION | Authors: | Ouyang, P.F, Zhang, Y, Tong, J. | Deposit date: | 2021-06-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase. Angew.Chem.Int.Ed.Engl., 60, 2021
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8DLB
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![BU of 8dlb by Molmil](/molmil-images/mine/8dlb) | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | Descriptor: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | Authors: | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | Deposit date: | 2022-07-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J.Chem.Inf.Model., 63, 2023
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8DMD
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8DHW
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![BU of 8dhw by Molmil](/molmil-images/mine/8dhw) | Treponema lecithinolyticum beta-glucuronidase in complex with a UNC4917-glucuronide conjugate | Descriptor: | 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, Glycosyl hydrolase family 2, TIM barrel domain protein, ... | Authors: | Lietzan, A.D, Redinbo, M.R. | Deposit date: | 2022-06-28 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology. Sci Adv, 9, 2023
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2IT4
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![BU of 2it4 by Molmil](/molmil-images/mine/2it4) | X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet | Descriptor: | Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION | Authors: | Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-10-19 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I. Bioorg.Med.Chem.Lett., 17, 2007
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8DHE
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2IXV
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6MXC
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![BU of 6mxc by Molmil](/molmil-images/mine/6mxc) | |