4Y52
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![BU of 4y52 by Molmil](/molmil-images/mine/4y52) | Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, L, Chong, J, Wang, D. | Deposit date: | 2015-02-11 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex. Nature, 523, 2015
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1IJR
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![BU of 1ijr by Molmil](/molmil-images/mine/1ijr) | Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | Descriptor: | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK | Authors: | Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R. | Deposit date: | 2001-04-27 | Release date: | 2002-05-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain. Bioorg.Med.Chem.Lett., 11, 2001
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4Z5S
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![BU of 4z5s by Molmil](/molmil-images/mine/4z5s) | |
6O83
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![BU of 6o83 by Molmil](/molmil-images/mine/6o83) | S. pombe ubiquitin E1~ubiquitin-AMP tetrahedral intermediate mimic | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, ... | Authors: | Hann, Z.S, Lima, C.D. | Deposit date: | 2019-03-08 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Structural basis for adenylation and thioester bond formation in the ubiquitin E1. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O82
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![BU of 6o82 by Molmil](/molmil-images/mine/6o82) | S. pombe ubiquitin E1 complex with a ubiquitin-AMP mimic | Descriptor: | 1,2-ETHANEDIOL, 5'-deoxy-5'-(sulfamoylamino)adenosine, MAGNESIUM ION, ... | Authors: | Olsen, S.K, Lima, C.D. | Deposit date: | 2019-03-08 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structural basis for adenylation and thioester bond formation in the ubiquitin E1. Proc.Natl.Acad.Sci.USA, 116, 2019
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4Y7N
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![BU of 4y7n by Molmil](/molmil-images/mine/4y7n) | The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, L, Chong, J, Wang, D. | Deposit date: | 2015-02-15 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex. Nature, 523, 2015
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7RR4
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![BU of 7rr4 by Molmil](/molmil-images/mine/7rr4) | |
7RR3
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![BU of 7rr3 by Molmil](/molmil-images/mine/7rr3) | Structure of Deep-Sea Phage NrS-1 Primase-Polymerase N300 in complex with calcium and ddCTP | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, CALCIUM ION, Primase | Authors: | Wang, L, Yu, C, Sliz, P. | Deposit date: | 2021-08-09 | Release date: | 2022-01-12 | Last modified: | 2022-01-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Molecular Dissection of the Primase and Polymerase Activities of Deep-Sea Phage NrS-1 Primase-Polymerase. Front Microbiol, 12, 2021
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7SG4
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![BU of 7sg4 by Molmil](/molmil-images/mine/7sg4) | |
6MX8
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![BU of 6mx8 by Molmil](/molmil-images/mine/6mx8) | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | Authors: | Dougan, D.R, Zhou, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem., 59, 2016
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5UR1
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![BU of 5ur1 by Molmil](/molmil-images/mine/5ur1) | FGFR1 kinase domain complex with SN37333 in reversible binding mode | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | Authors: | Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J. | Deposit date: | 2017-02-09 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors. Eur J Med Chem, 135, 2017
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7LD1
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![BU of 7ld1 by Molmil](/molmil-images/mine/7ld1) | |
7LCN
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![BU of 7lcn by Molmil](/molmil-images/mine/7lcn) | |
7KNW
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![BU of 7knw by Molmil](/molmil-images/mine/7knw) | Crystal structure of SND1 in complex with C-26-A2 | Descriptor: | 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1 | Authors: | Kang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis. Nat Cancer, 3, 2022
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7KNX
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![BU of 7knx by Molmil](/molmil-images/mine/7knx) | Crystal structure of SND1 in complex with C-26-A6 | Descriptor: | 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ... | Authors: | Kang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis. Nat Cancer, 3, 2022
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7F3B
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![BU of 7f3b by Molmil](/molmil-images/mine/7f3b) | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | Deposit date: | 2021-06-16 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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8DY6
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![BU of 8dy6 by Molmil](/molmil-images/mine/8dy6) | Vaccine elicited Antibody MU89+S27Y bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stalls, V, Acharya, P. | Deposit date: | 2022-08-03 | Release date: | 2023-04-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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8DTO
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![BU of 8dto by Molmil](/molmil-images/mine/8dto) | Vaccine elicited Antibody MU89 bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stalls, V, Acharya, P. | Deposit date: | 2022-07-26 | Release date: | 2023-04-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction. Cell Host Microbe, 32, 2024
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4QUW
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![BU of 4quw by Molmil](/molmil-images/mine/4quw) | |
4RC7
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![BU of 4rc7 by Molmil](/molmil-images/mine/4rc7) | |
5F6I
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![BU of 5f6i by Molmil](/molmil-images/mine/5f6i) | |
4RC8
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![BU of 4rc8 by Molmil](/molmil-images/mine/4rc8) | |
5F6H
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![BU of 5f6h by Molmil](/molmil-images/mine/5f6h) | |
5F6J
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![BU of 5f6j by Molmil](/molmil-images/mine/5f6j) | |
4RC5
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![BU of 4rc5 by Molmil](/molmil-images/mine/4rc5) | |