7UVB
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![BU of 7uvb by Molmil](/molmil-images/mine/7uvb) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT021601 | Descriptor: | 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde, FORMYL GROUP, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Kaya, E, Xu, Q, Li, Z, Strutt, S.C, Cathers, B.E. | Deposit date: | 2022-04-29 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model. Br.J.Haematol., 202, 2023
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6O1S
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![BU of 6o1s by Molmil](/molmil-images/mine/6o1s) | Structure of human plasma kallikrein protease domain with inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | Authors: | Partridge, J.R, Choy, R.M. | Deposit date: | 2019-02-21 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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6O1G
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![BU of 6o1g by Molmil](/molmil-images/mine/6o1g) | Full length human plasma kallikrein with inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, Plasma kallikrein | Authors: | Partridge, J.R, Choy, R.M. | Deposit date: | 2019-02-19 | Release date: | 2019-03-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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8SVI
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![BU of 8svi by Molmil](/molmil-images/mine/8svi) | Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | Deposit date: | 2023-05-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nat Commun, 15, 2024
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8T2D
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![BU of 8t2d by Molmil](/molmil-images/mine/8t2d) | Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | Deposit date: | 2023-06-05 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nat Commun, 15, 2024
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4J0B
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![BU of 4j0b by Molmil](/molmil-images/mine/4j0b) | Structure of mitochondrial Hsp90 (TRAP1) with ADP-BeF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, COBALT (II) ION, ... | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | Deposit date: | 2013-01-30 | Release date: | 2014-01-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014
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4IYN
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![BU of 4iyn by Molmil](/molmil-images/mine/4iyn) | Structure of mitochondrial Hsp90 (TRAP1) with ADP-ALF4- | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, MAGNESIUM ION, ... | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | Deposit date: | 2013-01-28 | Release date: | 2014-01-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014
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4IVG
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![BU of 4ivg by Molmil](/molmil-images/mine/4ivg) | Crystal structure of mitochondrial Hsp90 (TRAP1) NTD-Middle domain dimer with AMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | Deposit date: | 2013-01-22 | Release date: | 2014-01-22 | Last modified: | 2014-08-27 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014
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4IPE
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![BU of 4ipe by Molmil](/molmil-images/mine/4ipe) | Crystal structure of mitochondrial Hsp90 (TRAP1) with AMPPNP | Descriptor: | COBALT (II) ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | Deposit date: | 2013-01-09 | Release date: | 2014-01-22 | Last modified: | 2014-08-27 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014
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4M1X
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![BU of 4m1x by Molmil](/molmil-images/mine/4m1x) | |
6BFP
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![BU of 6bfp by Molmil](/molmil-images/mine/6bfp) | Bovine trypsin bound to potent inhibitor | Descriptor: | 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid, CALCIUM ION, Cationic trypsin | Authors: | Partridge, J.R, Choy, R.M. | Deposit date: | 2017-10-26 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.292 Å) | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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5UFJ
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![BU of 5ufj by Molmil](/molmil-images/mine/5ufj) | Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6 | Descriptor: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2017-01-04 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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5U3I
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![BU of 5u3i by Molmil](/molmil-images/mine/5u3i) | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2016-12-02 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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3H1D
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![BU of 3h1d by Molmil](/molmil-images/mine/3h1d) | Structure of the HUWE1 HECT Domain | Descriptor: | E3 ubiquitin-protein ligase HUWE1, SULFATE ION | Authors: | Partridge, J.R, Schwartz, T.U. | Deposit date: | 2009-04-11 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | A structural element within the HUWE1 HECT domain modulates self-ubiquitination and substrate ubiquitination activities. J.Biol.Chem., 285, 2010
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3GJ8
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![BU of 3gj8 by Molmil](/molmil-images/mine/3gj8) | |
3GJ0
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![BU of 3gj0 by Molmil](/molmil-images/mine/3gj0) | Crystal structure of human RanGDP | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Partridge, J.R, Schwartz, T.U. | Deposit date: | 2009-03-07 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystallographic and Biochemical Analysis of the Ran-binding Zinc Finger Domain. J.Mol.Biol., 391, 2009
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3GJ6
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![BU of 3gj6 by Molmil](/molmil-images/mine/3gj6) | |
3GJ5
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![BU of 3gj5 by Molmil](/molmil-images/mine/3gj5) | |
3GJ7
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![BU of 3gj7 by Molmil](/molmil-images/mine/3gj7) | |
3GJ4
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![BU of 3gj4 by Molmil](/molmil-images/mine/3gj4) | |
3GJ3
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![BU of 3gj3 by Molmil](/molmil-images/mine/3gj3) | |
5TJX
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![BU of 5tjx by Molmil](/molmil-images/mine/5tjx) | Structure of human plasma kallikrein | Descriptor: | (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein | Authors: | Partridge, J.R, Choy, R.M, Li, Z. | Deposit date: | 2016-10-05 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors. ACS Med Chem Lett, 8, 2017
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8SVG
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![BU of 8svg by Molmil](/molmil-images/mine/8svg) | Ubiquitin variant i53 in complex with 53BP1 Tudor domain | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | Deposit date: | 2023-05-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nat Commun, 15, 2024
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8SVH
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![BU of 8svh by Molmil](/molmil-images/mine/8svh) | Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | Deposit date: | 2023-05-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nat Commun, 15, 2024
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8SVJ
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![BU of 8svj by Molmil](/molmil-images/mine/8svj) | Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH | Authors: | Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A. | Deposit date: | 2023-05-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nat Commun, 15, 2024
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