5GHV
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![BU of 5ghv by Molmil](/molmil-images/mine/5ghv) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2016-06-20 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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6XKR
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![BU of 6xkr by Molmil](/molmil-images/mine/6xkr) | Structure of Sasanlimab Fab in complex with PD-1 | Descriptor: | GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ... | Authors: | Kimberlin, C.R, Chin, S.M. | Deposit date: | 2020-06-27 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody. Mol.Cancer Ther., 19, 2020
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6Q9L
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![BU of 6q9l by Molmil](/molmil-images/mine/6q9l) | |
6Q9U
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![BU of 6q9u by Molmil](/molmil-images/mine/6q9u) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, CHLORIDE ION, ... | Authors: | Kallen, J. | Deposit date: | 2018-12-18 | Release date: | 2019-05-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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6Q9O
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![BU of 6q9o by Molmil](/molmil-images/mine/6q9o) | |
6Q9Q
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![BU of 6q9q by Molmil](/molmil-images/mine/6q9q) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide, GLYCEROL, ... | Authors: | Kallen, J. | Deposit date: | 2018-12-18 | Release date: | 2019-05-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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6Q9W
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![BU of 6q9w by Molmil](/molmil-images/mine/6q9w) | X-ray structure of compound 15 bound to HdmX: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | Descriptor: | (4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Protein Mdm4, ... | Authors: | Kallen, J. | Deposit date: | 2018-12-18 | Release date: | 2019-05-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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6Q9H
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![BU of 6q9h by Molmil](/molmil-images/mine/6q9h) | |
6Q9Y
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6Q9S
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![BU of 6q9s by Molmil](/molmil-images/mine/6q9s) | HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, Protein Mdm4, ... | Authors: | Kallen, J. | Deposit date: | 2018-12-18 | Release date: | 2019-05-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
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8C4C
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![BU of 8c4c by Molmil](/molmil-images/mine/8c4c) | F-actin decorated by SipA497-669 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Yuan, B, Wald, J, Marlovits, T.C. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for subversion of host cell actin cytoskeleton during Salmonella infection. Sci Adv, 9, 2023
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8C4E
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![BU of 8c4e by Molmil](/molmil-images/mine/8c4e) | F-actin decorated by SipA426-685 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Yuan, B, Wald, J, Marlovits, T.C. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for subversion of host cell actin cytoskeleton during Salmonella infection. Sci Adv, 9, 2023
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5Z2I
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![BU of 5z2i by Molmil](/molmil-images/mine/5z2i) | Structure of Dictyostelium discoideum mitochondrial calcium uniporter N-ternimal domain (Se-DdMCU-NTD) | Descriptor: | Dictyostelium discoideum mitochondrial calcium uniporter | Authors: | Yuan, Y, Wen, M, Chou, J, Li, D, Bo, O. | Deposit date: | 2018-01-02 | Release date: | 2019-01-02 | Last modified: | 2020-07-15 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structural Characterization of the N-Terminal Domain of theDictyostelium discoideumMitochondrial Calcium Uniporter. Acs Omega, 5, 2020
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8D4L
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![BU of 8d4l by Molmil](/molmil-images/mine/8d4l) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8D4K
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![BU of 8d4k by Molmil](/molmil-images/mine/8d4k) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8D4M
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![BU of 8d4m by Molmil](/molmil-images/mine/8d4m) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-02 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir. Biorxiv, 2022
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8DH4
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![BU of 8dh4 by Molmil](/molmil-images/mine/8dh4) | T7 RNA polymerase elongation complex with unnatural base dPa-DsTP pair | Descriptor: | (7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine, MAGNESIUM ION, Non-template strand DNA, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2022-06-24 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase. Nat Commun, 14, 2023
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8DH3
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![BU of 8dh3 by Molmil](/molmil-images/mine/8dh3) | T7 RNA polymerase elongation complex with unnatural base dPa | Descriptor: | Non-template strand DNA, RNA, T7 RNA polymerase, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2022-06-24 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase. Nat Commun, 14, 2023
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8DH1
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![BU of 8dh1 by Molmil](/molmil-images/mine/8dh1) | T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair | Descriptor: | 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2022-06-24 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase. Nat Commun, 14, 2023
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8DH0
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![BU of 8dh0 by Molmil](/molmil-images/mine/8dh0) | T7 RNA polymerase elongation complex with unnatural base dDs | Descriptor: | GLYCEROL, Non-template strand DNA, RNA, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2022-06-24 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase. Nat Commun, 14, 2023
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8DH5
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![BU of 8dh5 by Molmil](/molmil-images/mine/8dh5) | |
8DH2
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![BU of 8dh2 by Molmil](/molmil-images/mine/8dh2) | |
5ML5
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![BU of 5ml5 by Molmil](/molmil-images/mine/5ml5) | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-12-06 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK. Molecules, 22, 2017
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5MO4
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![BU of 5mo4 by Molmil](/molmil-images/mine/5mo4) | |
5MQV
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![BU of 5mqv by Molmil](/molmil-images/mine/5mqv) | Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide | Descriptor: | 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide, Casein kinase I isoform delta, PHOSPHATE ION | Authors: | Pichlo, C, Brunstein, E, Baumann, U. | Deposit date: | 2016-12-20 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK. Molecules, 22, 2017
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