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
 | | 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
 | | 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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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
 | | 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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5XPY
 | | Structural basis of kindlin-mediated integrin recognition and activation | | Descriptor: | ACETATE ION, Fermitin family homolog 2, GLYCEROL | | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | Deposit date: | 2017-06-05 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5XPZ
 | | Structural basis of kindlin-mediated integrin recognition and activation | | Descriptor: | Fermitin family homolog 2, GLYCEROL | | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | Deposit date: | 2017-06-05 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7E39
 | | SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ... | | Authors: | Liu, C. | | Deposit date: | 2021-02-08 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
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7E3B
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7E3C
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7DTE
 | | SARS-CoV-2 RdRP catalytic complex with T33-1 RNA | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ... | | Authors: | Wang, Q, Gong, P. | | Deposit date: | 2021-01-04 | | Release date: | 2021-10-20 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex.
Cell Rep, 37, 2021
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7BVH
 | | Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose | | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ... | | Authors: | Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H. | | Deposit date: | 2020-04-10 | | Release date: | 2020-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7YYW
 | | Molecular snapshots of drug release from tubulin: 10 nanoseconds after photoactivation. | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ5
 | | Molecular snapshots of drug release from tubulin: 100 milliseconds (steady state) | | Descriptor: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ2
 | | Molecular snapshots of drug release from tubulin: 10 milliseconds after photoactivation. | | Descriptor: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYV
 | | Molecular snapshots of drug release from tubulin: 1 nanosecond after photoactivation. | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYZ
 | | Molecular snapshots of drug release from tubulin: 10 microseconds after photoactivation. | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ1
 | | Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation. | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ6
 | | Molecular snapshots of drug release from tubulin: Dark (steady state) | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYX
 | | Molecular snapshots of drug release from tubulin: 100 nanoseconds after photoactivation. | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ0
 | | Molecular snapshots of drug release from tubulin: 100 microseconds after photoactivation. | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ3
 | | Molecular snapshots of drug release from tubulin: Apo state | | Descriptor: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYQ
 | | Molecular snapshots of drug release from tubulin: Dark state | | Descriptor: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYY
 | | Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation | | Descriptor: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | Authors: | Wranik, M, Weinert, T, Standfuss, J. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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5XQ0
 | | Structural basis of kindlin-mediated integrin recognition and activation | | Descriptor: | Fermitin family homolog 2,Integrin beta-1, GLYCEROL | | Authors: | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | Deposit date: | 2017-06-05 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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