7SFB
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7SFI
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![BU of 7sfi by Molmil](/molmil-images/mine/7sfi) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML104 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION, ... | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-03 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases To Be Published
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5MY6
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![BU of 5my6 by Molmil](/molmil-images/mine/5my6) | Crystal structure of a HER2-Nb complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Sterckx, Y.G.-J, D'Huyvetter, M, Devoogdt, N. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | (131)I-labeled Anti-HER2 Camelid sdAb as a Theranostic Tool in Cancer Treatment. Clin. Cancer Res., 23, 2017
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5DI1
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![BU of 5di1 by Molmil](/molmil-images/mine/5di1) | MAP4K4 in complex with an inhibitor | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2015-08-31 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. Acs Med.Chem.Lett., 6, 2015
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8GSQ
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![BU of 8gsq by Molmil](/molmil-images/mine/8gsq) | Structure based studies reveal an atypical antipsychotic drug candidate - Paliperidone as a potent hSOD1 modulator with implications in ALS treatment. | Descriptor: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Aouti, S, Padmanabhan, B. | Deposit date: | 2022-09-06 | Release date: | 2023-06-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis. Acta Crystallogr D Struct Biol, 79, 2023
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7FEO
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![BU of 7feo by Molmil](/molmil-images/mine/7feo) | Crystal structure of AtMBD5 MBD domain | Descriptor: | Methyl-CpG-binding domain-containing protein 5, SULFATE ION | Authors: | Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-21 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs. J.Mol.Biol., 434, 2022
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7FEF
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![BU of 7fef by Molmil](/molmil-images/mine/7fef) | Crystal structure of AtMBD6 with DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6 | Authors: | Wu, Z.B, Liu, K, Min, J.R. | Deposit date: | 2021-07-19 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs. J.Mol.Biol., 434, 2022
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3F5P
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![BU of 3f5p by Molmil](/molmil-images/mine/3f5p) | Complex Structure of Insulin-like Growth Factor Receptor and 3-Cyanoquinoline Inhibitor | Descriptor: | 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile, Insulin-like growth factor 1 receptor | Authors: | Xu, W, Miller, L.M, Mayer, S.C, Berger, D.M, Boschelli, D.H, Boschelli, F. | Deposit date: | 2008-11-04 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment Bioorg.Med.Chem.Lett., 19, 2009
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8AXX
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![BU of 8axx by Molmil](/molmil-images/mine/8axx) | Expanded Coxsackievirus A9 after treatment with endosomal ionic buffer | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Domanska, A, Plavec, Z, Ruokolainen, V, Loflund, B, Marjomaki, V.S, Butcher, S.J. | Deposit date: | 2022-09-01 | Release date: | 2022-10-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural Studies Reveal that Endosomal Cations Promote Formation of Infectious Coxsackievirus A9 A-Particles, Facilitating RNA and VP4 Release. J.Virol., 96, 2022
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8AW6
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![BU of 8aw6 by Molmil](/molmil-images/mine/8aw6) | Expanded Coxsackievirus A9 after 0.01% faf-BSA treatment | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Domanska, A, Plavec, Z, Ruokolainen, V, Loflund, B, Marjomaki, V.S, Butcher, S.J. | Deposit date: | 2022-08-29 | Release date: | 2022-10-26 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Studies Reveal that Endosomal Cations Promote Formation of Infectious Coxsackievirus A9 A-Particles, Facilitating RNA and VP4 Release. J.Virol., 96, 2022
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8JWE
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7XBR
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![BU of 7xbr by Molmil](/molmil-images/mine/7xbr) | Crystal structure of phosphorylated AtMKK5 | Descriptor: | Mitogen-activated protein kinase kinase 5 | Authors: | Pei, C.J, Luo, Z.P, Wu, J.W, Wang, Z.X. | Deposit date: | 2022-03-22 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the phosphorylated Arabidopsis MKK5 reveals activation mechanism of MAPK kinases. Acta Biochim.Biophys.Sin., 54, 2022
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1PAH
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1JS3
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![BU of 1js3 by Molmil](/molmil-images/mine/1js3) | Crystal structure of dopa decarboxylase in complex with the inhibitor carbidopa | Descriptor: | CARBIDOPA, DOPA decarboxylase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Burkhard, P, Dominici, P, Borri-Voltattorni, C, Jansonius, J.N, Malashkevich, V.N. | Deposit date: | 2001-08-16 | Release date: | 2001-10-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase. Nat.Struct.Biol., 8, 2001
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1JS6
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![BU of 1js6 by Molmil](/molmil-images/mine/1js6) | Crystal Structure of DOPA decarboxylase | Descriptor: | DOPA decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Burkhard, P, Dominici, P, Borri-Voltattorni, C, Jansonius, J.N, Malashkevich, V.N. | Deposit date: | 2001-08-16 | Release date: | 2001-10-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase. Nat.Struct.Biol., 8, 2001
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2DEB
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![BU of 2deb by Molmil](/molmil-images/mine/2deb) | Crystal structure of rat carnitine palmitoyltransferase 2 in space group C2221 | Descriptor: | COENZYME A, Carnitine O-palmitoyltransferase II, mitochondrial, ... | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | Deposit date: | 2006-02-10 | Release date: | 2007-02-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment Structure, 14, 2006
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8CHE
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8CN9
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3CXD
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![BU of 3cxd by Molmil](/molmil-images/mine/3cxd) | Crystal structure of anti-osteopontin antibody 23C3 in complex with its epitope peptide | Descriptor: | Fab fragment of anti-osteopontin antibody 23C3, Heavy chain, Light chain, ... | Authors: | Du, J, Yang, H, Zhong, C, Ding, J. | Deposit date: | 2008-04-24 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis of recognition of human osteopontin by 23C3, a potential therapeutic antibody for treatment of rheumatoid arthritis J.Mol.Biol., 382, 2008
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8DHH
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![BU of 8dhh by Molmil](/molmil-images/mine/8dhh) | DHODH IN COMPLEX WITH LIGAND 29 | Descriptor: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8DHF
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![BU of 8dhf by Molmil](/molmil-images/mine/8dhf) | DHODH IN COMPLEX WITH LIGAND 11 | Descriptor: | (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8DHG
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![BU of 8dhg by Molmil](/molmil-images/mine/8dhg) | DHODH IN COMPLEX WITH LIGAND 19 | Descriptor: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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8D74
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8D7R
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8D7E
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