5EDP
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![BU of 5edp by Molmil](/molmil-images/mine/5edp) | EGFR kinase (T790M/L858R) apo | Descriptor: | Epidermal growth factor receptor | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-10-21 | Release date: | 2015-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 26, 2016
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2OEH
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5EDQ
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![BU of 5edq by Molmil](/molmil-images/mine/5edq) | EGFR kinase (T790M/L858R) with inhibitor compound 15: ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | Descriptor: | Epidermal growth factor receptor, ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-10-21 | Release date: | 2015-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 26, 2016
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5EM7
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7E9G
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![BU of 7e9g by Molmil](/molmil-images/mine/7e9g) | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu2 | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, DN13, ... | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2021-03-04 | Release date: | 2021-06-23 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4. Nature, 594, 2021
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7E9H
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![BU of 7e9h by Molmil](/molmil-images/mine/7e9h) | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu4 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-3, ... | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2021-03-04 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4. Nature, 594, 2021
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5EM8
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5EM6
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1K3Z
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![BU of 1k3z by Molmil](/molmil-images/mine/1k3z) | X-ray crystal structure of the IkBb/NF-kB p65 homodimer complex | Descriptor: | Transcription factor p65, transcription factor inhibitor I-kappa-B-beta | Authors: | Shiva, M, Huang, D.B, Chen, Y, Huxford, T, Ghosh, S, Ghosh, G. | Deposit date: | 2001-10-04 | Release date: | 2002-10-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray crystal structure of an IkappaBbeta x NF-kappaB p65 homodimer complex. J.Biol.Chem., 278, 2003
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5EDR
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![BU of 5edr by Molmil](/molmil-images/mine/5edr) | EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | Descriptor: | Epidermal growth factor receptor, ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2015-10-21 | Release date: | 2015-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 26, 2016
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7E0P
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![BU of 7e0p by Molmil](/molmil-images/mine/7e0p) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 4-(((6-Bromo-1H-indazol-4-yl)amino)methyl)phenol (2) | Descriptor: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.635 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0T
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![BU of 7e0t by Molmil](/molmil-images/mine/7e0t) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36) | Descriptor: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0O
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![BU of 7e0o by Molmil](/molmil-images/mine/7e0o) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1) | Descriptor: | 6-bromanyl-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.337 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0S
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![BU of 7e0s by Molmil](/molmil-images/mine/7e0s) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23) | Descriptor: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E5W
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![BU of 7e5w by Molmil](/molmil-images/mine/7e5w) | The structure of CcpA from Staphylococcus aureus | Descriptor: | Catabolite control protein A, SULFATE ION | Authors: | Yu, G, Wei, X. | Deposit date: | 2021-02-20 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Regulation of DNA-binding activity of the Staphylococcus aureus catabolite control protein A by copper (II)-mediated oxidation. J.Biol.Chem., 298, 2022
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7E0U
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![BU of 7e0u by Molmil](/molmil-images/mine/7e0u) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39) | Descriptor: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.278 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0Q
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![BU of 7e0q by Molmil](/molmil-images/mine/7e0q) | Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22) | Descriptor: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.462 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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5EM5
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7E36
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![BU of 7e36 by Molmil](/molmil-images/mine/7e36) | A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkanesulfonate monooxygenase SsuD/methylene tetrahydromethanopterin reductase-like flavin-dependent oxidoreductase (Luciferase family), ... | Authors: | Zhang, B, Ge, H.M. | Deposit date: | 2021-02-08 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis. Nat Commun, 12, 2021
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3GRW
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![BU of 3grw by Molmil](/molmil-images/mine/3grw) | FGFR3 in complex with a Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | Authors: | Wiesmann, C. | Deposit date: | 2009-03-26 | Release date: | 2009-05-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibody-based targeting of FGFR3 in bladder carcinoma and t(4;14)-positive multiple myeloma in mice. J.Clin.Invest., 119, 2009
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6K7O
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![BU of 6k7o by Molmil](/molmil-images/mine/6k7o) | Complex structure of LILRB4 and h128-3 antibody | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily B member 4, h128-3 Fab heavy chain, h128-3 Fab light chain | Authors: | Song, H, Chai, Y, Xu, X, Gao, F.G. | Deposit date: | 2019-06-08 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Disrupting LILRB4/APOE Interaction by an Efficacious Humanized Antibody Reverses T-cell Suppression and Blocks AML Development. Cancer Immunol Res, 7, 2019
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4DXC
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7BP3
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![BU of 7bp3 by Molmil](/molmil-images/mine/7bp3) | Cryo-EM structure of the human MCT2 | Descriptor: | Monocarboxylate transporter 2 | Authors: | Zhang, B, Jin, Q, Zhang, X, Guo, J, Ye, S. | Deposit date: | 2020-03-21 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cooperative transport mechanism of human monocarboxylate transporter 2. Nat Commun, 11, 2020
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6A7A
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![BU of 6a7a by Molmil](/molmil-images/mine/6a7a) | AKR1C1 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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2ACA
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![BU of 2aca by Molmil](/molmil-images/mine/2aca) | X-ray structure of a putative adenylate cyclase Q87NV8 from Vibrio parahaemolyticus at the 2.25 A resolution. Northeast Structural Genomics Target VpR19. | Descriptor: | PHOSPHATE ION, putative adenylate cyclase | Authors: | Kuzin, A.P, Abashidze, M, Vorobiev, S.M, Forouhar, F, Chen, Y, Acton, T, Xiao, R, Conover, K, Ma, L.-C, Cunningham, K.E, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-07-18 | Release date: | 2005-08-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: |
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