6J5Z
| Crystal structure of human HINT1 mutant complexing with AP3A | Descriptor: | ADENOSINE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-12 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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8WUL
| Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-20 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
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8WTE
| Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ... | Authors: | Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S. | Deposit date: | 2023-10-18 | Release date: | 2024-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen. Commun Biol, 7, 2024
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2H9H
| An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-06-09 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361, 2006
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3K9X
| X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | Descriptor: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | Authors: | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577 Bioorg.Med.Chem.Lett., 19, 2009
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4GNG
| Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3K9me3 peptide | Descriptor: | GLYCEROL, Histone H3.3, Histone-lysine N-methyltransferase NSD3, ... | Authors: | Li, F, He, C, Wu, J, Shi, Y. | Deposit date: | 2012-08-17 | Release date: | 2013-01-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition. J.Biol.Chem., 288, 2013
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8W6A
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8W6B
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4HW7
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4HVS
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6J65
| Crystal structure of human HINT1 mutant complexing with AP4A II | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-14 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6KDY
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6KDE
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3GJ9
| crystal structure of TIP-1 in complex with c-terminal of Kir2.3 | Descriptor: | C-terminal peptide from Inward rectifier potassium channel 4, CHLORIDE ION, Tax1-binding protein 3, ... | Authors: | Shen, Y. | Deposit date: | 2009-03-08 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular mechanism of inward rectifier potassium channel 2.3 regulation by tax-interacting protein-1 J.Mol.Biol., 392, 2009
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4LY9
| Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate | Descriptor: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Jordan, S.R. | Deposit date: | 2013-07-30 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors. Nature, 504, 2013
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6CIS
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CIY
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CD4
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | Descriptor: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6J5S
| Crystal structure of human HINT1 mutant complexing with AP5A | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-11 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6CD5
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26 | Descriptor: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-08 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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6CJ2
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056 | Descriptor: | 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. Acs Chem.Biol., 13, 2018
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5WFS
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6J53
| Crystal structure of human HINT1 complexing with ATP | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-10 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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6J58
| Crystal structure of human HINT1 complexing with AP4A | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-10 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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4O91
| Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Westover, K.D. | Deposit date: | 2013-12-31 | Release date: | 2014-07-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Discovery of Type II Inhibitors of TGF beta-Activated Kinase 1 (TAK1) and Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2 (MAP4K2). J.Med.Chem., 58, 2015
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