4U8A
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![BU of 4u8a by Molmil](/molmil-images/mine/4u8a) | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2014-08-01 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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7MLB
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7MLI
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![BU of 7mli by Molmil](/molmil-images/mine/7mli) | |
7MLJ
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1AX8
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![BU of 1ax8 by Molmil](/molmil-images/mine/1ax8) | Human obesity protein, leptin | Descriptor: | OBESITY PROTEIN | Authors: | Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W. | Deposit date: | 1997-10-31 | Release date: | 1998-11-25 | Last modified: | 2012-05-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the obese protein leptin-E100. Nature, 387, 1997
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3NB6
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6O8I
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![BU of 6o8i by Molmil](/molmil-images/mine/6o8i) | BTK In Complex With Inhibitor | Descriptor: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | Authors: | Pokross, M, Tebben, A.J, Watterson, S.H. | Deposit date: | 2019-03-11 | Release date: | 2019-04-03 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J. Med. Chem., 62, 2019
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6LOV
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![BU of 6lov by Molmil](/molmil-images/mine/6lov) | crystal structure of alpha-momorcharin in complex with xanthosine | Descriptor: | 2,3-dihydroxanthosine, Ribosome-inactivating protein momordin I | Authors: | Fan, X, Jin, T. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs. Int.J.Biol.Macromol., 164, 2020
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6O9A
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![BU of 6o9a by Molmil](/molmil-images/mine/6o9a) | Crystal structure of MqnA complexed with 3-hydroxybenzoic acid | Descriptor: | 3-HYDROXYBENZOIC ACID, ACETATE ION, Chorismate dehydratase | Authors: | Hicks, K.A, Mahanta, N, Naseem, S, Fedoseyenko, D, Begley, T.P, Ealick, S.E. | Deposit date: | 2019-03-13 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.326 Å) | Cite: | Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase. Biochemistry, 58, 2019
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6OIE
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8QTG
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![BU of 8qtg by Molmil](/molmil-images/mine/8qtg) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTH
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![BU of 8qth by Molmil](/molmil-images/mine/8qth) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | Descriptor: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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6OQ8
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8QTJ
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![BU of 8qtj by Molmil](/molmil-images/mine/8qtj) | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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8QTK
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![BU of 8qtk by Molmil](/molmil-images/mine/8qtk) | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-10-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors. J.Med.Chem., 67, 2024
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6LOQ
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![BU of 6loq by Molmil](/molmil-images/mine/6loq) | crystal structure of alpha-momorcharin in complex with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ribosome-inactivating protein momordin I | Authors: | Fan, X, Jin, T. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.331 Å) | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs. Int.J.Biol.Macromol., 164, 2020
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6LOY
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![BU of 6loy by Molmil](/molmil-images/mine/6loy) | crystal structure of alpha-momorcharin in complex with dAMP | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I | Authors: | Fan, X, Jin, T. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs. Int.J.Biol.Macromol., 164, 2020
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6OQ7
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![BU of 6oq7 by Molmil](/molmil-images/mine/6oq7) | Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3 | Descriptor: | E3, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2019-04-25 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
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6BAJ
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4MMG
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![BU of 4mmg by Molmil](/molmil-images/mine/4mmg) | crystal structure of YafQ mutant H87Q from E.coli | Descriptor: | SULFATE ION, mRNA interferase YafQ | Authors: | Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H. | Deposit date: | 2013-09-09 | Release date: | 2014-06-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ J.Biol.Chem., 289, 2014
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6OYY
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![BU of 6oyy by Molmil](/molmil-images/mine/6oyy) | Crystal structure of Mtb aspartate decarboxylase, pyrazinoic acid complex | Descriptor: | Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, PYRAZINE-2-CARBOXYLIC ACID | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-15 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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4Q05
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![BU of 4q05 by Molmil](/molmil-images/mine/4q05) | Crystal structure of an esterase E25 | Descriptor: | SODIUM ION, esterase E25 | Authors: | Li, P.Y, Li, C.Y, Zhang, Y.Z. | Deposit date: | 2014-03-31 | Release date: | 2014-06-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for dimerization and catalysis of a novel esterase from the GTSAG motif subfamily of the bacterial hormone-sensitive lipase family J.Biol.Chem., 289, 2014
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3WSQ
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![BU of 3wsq by Molmil](/molmil-images/mine/3wsq) | Structure of HER2 with an Fab | Descriptor: | Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2 | Authors: | Fu, W.Y, Wang, Y.X, Zhou, L.J. | Deposit date: | 2014-03-20 | Release date: | 2015-03-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies. MAbs, 6, 2014
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6MAB
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![BU of 6mab by Molmil](/molmil-images/mine/6mab) | 1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain) | Descriptor: | ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase | Authors: | Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S. | Deposit date: | 2018-08-27 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation. Mol.Microbiol., 113, 2020
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6P02
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![BU of 6p02 by Molmil](/molmil-images/mine/6p02) | Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex | Descriptor: | 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain | Authors: | Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-05-16 | Release date: | 2020-02-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nat Commun, 11, 2020
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