4HGL
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![BU of 4hgl by Molmil](/molmil-images/mine/4hgl) | Crystal structure of ck1g3 with compound 1 | Descriptor: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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4E5P
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4EBF
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4E5K
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4E5N
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![BU of 4e5n by Molmil](/molmil-images/mine/4e5n) | Thermostable phosphite dehydrogenase in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase | Authors: | Zou, Y, Zhang, H, Nair, S.K. | Deposit date: | 2012-03-14 | Release date: | 2012-05-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration. Biochemistry, 51, 2012
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4E5M
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5B6I
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![BU of 5b6i by Molmil](/molmil-images/mine/5b6i) | Structure of fluorinase from Streptomyces sp. MA37 | Descriptor: | ADENOSINE, Fluorinase, METHIONINE | Authors: | Xue, B, Robinson, R.C. | Deposit date: | 2016-05-29 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Directed Evolution of a Fluorinase for Improved Fluorination Efficiency with a Non-native Substrate Angew.Chem.Int.Ed.Engl., 55, 2016
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7JUO
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![BU of 7juo by Molmil](/molmil-images/mine/7juo) | CBP bromodomain complexed with YF2-23 | Descriptor: | CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | Authors: | Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G. | Deposit date: | 2020-08-20 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer. Proc.Natl.Acad.Sci.USA, 119, 2022
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2RL5
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![BU of 2rl5 by Molmil](/molmil-images/mine/2rl5) | Crystal structure of the VEGFR2 kinase domain in complex with a 2,3-dihydro-1,4-benzoxazine inhibitor | Descriptor: | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Zhao, H. | Deposit date: | 2007-10-18 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis. J.Med.Chem., 51, 2008
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3CHH
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![BU of 3chh by Molmil](/molmil-images/mine/3chh) | Crystal Structure of Di-iron AurF | Descriptor: | MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase | Authors: | Zhang, H, Brunzelle, J.S, Nair, S.K. | Deposit date: | 2008-03-09 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3CHI
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3EUO
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3CHU
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![BU of 3chu by Molmil](/molmil-images/mine/3chu) | Crystal Structure of Di-iron Aurf | Descriptor: | MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase | Authors: | Zhang, H, Brunzelle, J.S, Nair, S.K. | Deposit date: | 2008-03-10 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3CHT
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3F5O
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![BU of 3f5o by Molmil](/molmil-images/mine/3f5o) | Crystal Structure of hTHEM2(undecan-2-one-CoA) complex | Descriptor: | CHLORIDE ION, COENZYME A, HEXAETHYLENE GLYCOL, ... | Authors: | Xu, H, Gong, W. | Deposit date: | 2008-11-04 | Release date: | 2009-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The mechanisms of human hotdog-fold thioesterase 2 (hTHEM2) substrate recognition and catalysis illuminated by a structure and function based analysis Biochemistry, 48, 2009
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3EUT
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3EUQ
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6AEJ
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![BU of 6aej by Molmil](/molmil-images/mine/6aej) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-05 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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1CEG
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![BU of 1ceg by Molmil](/molmil-images/mine/1ceg) | CEPHALOTHIN COMPLEXED WITH DD-PEPTIDASE | Descriptor: | CEPHALOTHIN GROUP, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE TRANSPEPTIDASE | Authors: | Knox, J.R, Kuzin, A.P. | Deposit date: | 1995-01-12 | Release date: | 1996-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases. Biochemistry, 34, 1995
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1CEF
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![BU of 1cef by Molmil](/molmil-images/mine/1cef) | CEFOTAXIME COMPLEXED WITH THE STREPTOMYCES R61 DD-PEPTIDASE | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Knox, J.R, Kuzin, A.P. | Deposit date: | 1995-01-12 | Release date: | 1996-10-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Binding of cephalothin and cefotaxime to D-ala-D-ala-peptidase reveals a functional basis of a natural mutation in a low-affinity penicillin-binding protein and in extended-spectrum beta-lactamases. Biochemistry, 34, 1995
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4EWS
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4HGS
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![BU of 4hgs by Molmil](/molmil-images/mine/4hgs) | Crystal structure of ck1gs with compound 13 | Descriptor: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3 | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of ck1gs with compound 13 Acs Med.Chem.Lett
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4G59
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6LON
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![BU of 6lon by Molmil](/molmil-images/mine/6lon) | Crystal structure of HPSG | Descriptor: | (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ... | Authors: | Liu, J, Zhang, Y, Yuchi, Z. | Deposit date: | 2020-01-06 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate. Proc.Natl.Acad.Sci.USA, 117, 2020
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