4RE1
| Crystal structure of human TEAD1 and disulfide-engineered YAP | Descriptor: | CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog | Authors: | Xu, Z, Zhou, Z. | Deposit date: | 2014-09-21 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides. Faseb J., 29, 2015
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6TYY
| Hedgehog autoprocessing mutant D46H | Descriptor: | Protein hedgehog | Authors: | Li, H, Li, Z, Wang, C, Callahan, B.P. | Deposit date: | 2019-08-09 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing. J.Am.Chem.Soc., 141, 2019
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6LPV
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4RFM
| ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | Descriptor: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-09-26 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J.Med.Chem., 58, 2015
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6O6W
| Solution structure of human myeloid-derived growth factor | Descriptor: | Myeloid-derived growth factor | Authors: | Bortnov, V, Tonelli, M, Lee, W, Markley, J.L, Mosher, D.F. | Deposit date: | 2019-03-07 | Release date: | 2019-11-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum. Nat Commun, 10, 2019
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4WXM
| FleQ REC domain from Pseudomonas aeruginosa PAO1 | Descriptor: | Transcriptional regulator FleQ | Authors: | Su, T, Liu, S, Gu, L. | Deposit date: | 2014-11-14 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator J.Struct.Biol., 192, 2015
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6UM8
| HIV Integrase in complex with Compound-14 | Descriptor: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ... | Authors: | Khan, J.A, Kish, K. | Deposit date: | 2019-10-09 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J.Med.Chem., 63, 2020
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5K7K
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4R94
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7V2Z
| ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ... | Authors: | Lin, M.M, Yang, H.T. | Deposit date: | 2021-08-10 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10101676 Å) | Cite: | Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis. Acs Infect Dis., 8, 2022
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5C10
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5C2D
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5C15
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5C12
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5C2F
| K428A mutant nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6 with Manganese and beta-thujaplicinol | Descriptor: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, Gene 2 protein, MANGANESE (II) ION | Authors: | Zhao, H, Tang, L. | Deposit date: | 2015-06-15 | Release date: | 2015-10-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism. Nucleic Acids Res., 43, 2015
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5CET
| Crystal structure of Rv2837c | Descriptor: | Bifunctional oligoribonuclease and PAP phosphatase NrnA, MANGANESE (II) ION | Authors: | Wang, F, He, Q, Zhu, D, Liu, S, Gu, L. | Deposit date: | 2015-07-07 | Release date: | 2015-12-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Insight into the Mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP Phosphodiesterase J.Biol.Chem., 291, 2016
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8EW6
| Anti-human CD8 VHH complex with CD8 alpha | Descriptor: | Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain | Authors: | Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P. | Deposit date: | 2022-10-21 | Release date: | 2022-11-23 | Last modified: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging. Eur J Nucl Med Mol Imaging, 50, 2023
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8HNZ
| Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO0
| Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO1
| Crystal structure of cytochrome P450 NasF5053 mutant F387G | Descriptor: | CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HNY
| Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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5FO8
| Crystal Structure of Human Complement C3b in Complex with MCP (CCP1-4) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3, ... | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | Deposit date: | 2015-11-18 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode. Embo J., 35, 2016
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5FO7
| Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | Deposit date: | 2015-11-18 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode. Embo J., 35, 2016
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5FO9
| Crystal Structure of Human Complement C3b in Complex with CR1 (CCP15- 17) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN, ... | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | Deposit date: | 2015-11-18 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode. Embo J., 35, 2016
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5FOA
| Crystal Structure of Human Complement C3b in complex with DAF (CCP2-4) | Descriptor: | COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA CHAIN, DECAY ACCELERATING FACTOR, ... | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | Deposit date: | 2015-11-18 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.188 Å) | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode. Embo J., 35, 2016
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