7E3O
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6GJ6
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![BU of 6gj6 by Molmil](/molmil-images/mine/6gj6) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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5Y1Y
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3DEE
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6FC7
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6GJ8
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![BU of 6gj8 by Molmil](/molmil-images/mine/6gj8) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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5T8Q
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6PDX
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1A5I
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6CJ0
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1CBK
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![BU of 1cbk by Molmil](/molmil-images/mine/1cbk) | 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE FROM HAEMOPHILUS INFLUENZAE | Descriptor: | 7,8-DIHYDRO-7,7-DIMETHYL-6-HYDROXYPTERIN, PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE), SULFATE ION | Authors: | Hennig, M, D'Arcy, A, Dale, G, Oefner, C. | Deposit date: | 1999-02-26 | Release date: | 2000-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The structure and function of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Haemophilus influenzae. J.Mol.Biol., 287, 1999
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5GUT
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![BU of 5gut by Molmil](/molmil-images/mine/5gut) | The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Chen, S.J, Ye, F. | Deposit date: | 2016-08-31 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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5BOA
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![BU of 5boa by Molmil](/molmil-images/mine/5boa) | Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2 | Descriptor: | Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Zhang, C, Yu, Y, Yang, M, Jiang, Y. | Deposit date: | 2015-05-27 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor. Febs Lett., 590, 2016
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5JZJ
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![BU of 5jzj by Molmil](/molmil-images/mine/5jzj) | Crystal structure of DCLK1-KD in complex with AMPPN | Descriptor: | AMP PHOSPHORAMIDATE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Patel, O, Lucet, I. | Deposit date: | 2016-05-17 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1. Structure, 24, 2016
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4IKP
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![BU of 4ikp by Molmil](/molmil-images/mine/4ikp) | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | Authors: | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-27 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
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2AMP
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![BU of 2amp by Molmil](/molmil-images/mine/2amp) | Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | Deposit date: | 2005-08-10 | Release date: | 2005-09-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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6FDJ
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5JZN
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![BU of 5jzn by Molmil](/molmil-images/mine/5jzn) | Crystal structure of DCLK1-KD in complex with NVP-TAE684 | Descriptor: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, SULFATE ION, Serine/threonine-protein kinase DCLK1 | Authors: | Patel, O, Lucet, I. | Deposit date: | 2016-05-17 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1. Structure, 24, 2016
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7XPJ
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![BU of 7xpj by Molmil](/molmil-images/mine/7xpj) | crystal structure of rice ASI1 BAH domain | Descriptor: | BAH domain-containing protein | Authors: | Yuan, J, Du, J. | Deposit date: | 2022-05-04 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Molecular basis of locus-specific H3K9 methylation catalyzed by SUVH6 in plants. Proc.Natl.Acad.Sci.USA, 120, 2023
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7XPK
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5GUV
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![BU of 5guv by Molmil](/molmil-images/mine/5guv) | The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | Authors: | Ye, F, Chen, S.J. | Deposit date: | 2016-08-31 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.078 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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3F1Z
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2AMD
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![BU of 2amd by Molmil](/molmil-images/mine/2amd) | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 | Descriptor: | 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | Deposit date: | 2005-08-09 | Release date: | 2005-09-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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2AMQ
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![BU of 2amq by Molmil](/molmil-images/mine/2amq) | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | Deposit date: | 2005-08-10 | Release date: | 2005-09-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
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5T8O
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![BU of 5t8o by Molmil](/molmil-images/mine/5t8o) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | Descriptor: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P, Hymowitz, S.G. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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