4G8O
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![BU of 4g8o by Molmil](/molmil-images/mine/4g8o) | Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 | Descriptor: | (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate), 1,2-ETHANEDIOL, Plasminogen activator inhibitor 1, ... | Authors: | Stuckey, J.A, Lawrence, D.A, Li, S.-H. | Deposit date: | 2012-07-23 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1. Proc.Natl.Acad.Sci.USA, 110, 2013
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4G8R
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![BU of 4g8r by Molmil](/molmil-images/mine/4g8r) | Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 | Descriptor: | (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate), Plasminogen activator inhibitor-1, SULFATE ION | Authors: | Stuckey, J.A, Lawrence, D.A, Li, S.-H. | Deposit date: | 2012-07-23 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1. Proc.Natl.Acad.Sci.USA, 110, 2013
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8GBN
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![BU of 8gbn by Molmil](/molmil-images/mine/8gbn) | Structure of Apo Human SIRT5 P114T Mutant | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
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8GBL
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![BU of 8gbl by Molmil](/molmil-images/mine/8gbl) | Structure of Apo Human SIRT5 | Descriptor: | NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
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3LQ6
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![BU of 3lq6 by Molmil](/molmil-images/mine/3lq6) | |
1LW3
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![BU of 1lw3 by Molmil](/molmil-images/mine/1lw3) | Crystal Structure of Myotubularin-related protein 2 complexed with phosphate | Descriptor: | Myotubularin-related protein 2, PHOSPHATE ION | Authors: | Begley, M.J, Taylor, G.S, Kim, S.-A, Veine, D.M, Dixon, J.E, Stuckey, J.A. | Deposit date: | 2002-05-30 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of a Phosphoinositide Phosphatase, MTMR2: Insights into Myotubular Myopathy and Charcot-Marie-Tooth Syndrome Mol.Cell, 12, 2003
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5VTB
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![BU of 5vtb by Molmil](/molmil-images/mine/5vtb) | Crystal structure of RBBP4 bound to BCL11a peptide | Descriptor: | B-cell lymphoma/leukemia 11A, GLYCEROL, Histone-binding protein RBBP4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2017-05-16 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the interaction between the histone methyltransferase/deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes. J. Biol. Chem., 293, 2018
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7UC6
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![BU of 7uc6 by Molmil](/molmil-images/mine/7uc6) | Stat5a Core in complex with Compound 12 | Descriptor: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UBT
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![BU of 7ubt by Molmil](/molmil-images/mine/7ubt) | Stat5a Core in complex with Compound 18 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-15 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UC7
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![BU of 7uc7 by Molmil](/molmil-images/mine/7uc7) | Stat5a Core in complex with Compound 17 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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6DHS
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![BU of 6dhs by Molmil](/molmil-images/mine/6dhs) | Structure of hnRNP H qRRM1,2 | Descriptor: | Heterogeneous nuclear ribonucleoprotein H | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-05-21 | Release date: | 2018-09-12 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H. J. Am. Chem. Soc., 2018
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6DS9
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![BU of 6ds9 by Molmil](/molmil-images/mine/6ds9) | Elongated version of a de novo designed three helix bundle structure (GRa3D) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ... | Authors: | Koebke, K.J, Ruckthong, L.R, Meagher, J.L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2018-06-13 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein. Inorg Chem, 57, 2018
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4TW3
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![BU of 4tw3 by Molmil](/molmil-images/mine/4tw3) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-06-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4FKG
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![BU of 4fkg by Molmil](/molmil-images/mine/4fkg) | |
4FKS
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![BU of 4fks by Molmil](/molmil-images/mine/4fks) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | Cyclin-dependent kinase 2, N-[(4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}phenyl)sulfonyl]acetamide | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FKV
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![BU of 4fkv by Molmil](/molmil-images/mine/4fkv) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | (3Z)-N-[2-(1H-imidazol-4-yl)ethyl]-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxamide, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FKP
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![BU of 4fkp by Molmil](/molmil-images/mine/4fkp) | |
4FKO
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![BU of 4fko by Molmil](/molmil-images/mine/4fko) | |
4FKJ
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4FKW
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![BU of 4fkw by Molmil](/molmil-images/mine/4fkw) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | 2-methylpropyl (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylate, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FKR
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![BU of 4fkr by Molmil](/molmil-images/mine/4fkr) | Crystal structure of the cdk2 in complex with oxindole inhibitor | Descriptor: | (8Z)-8-{[(2,2-dioxido-1,3-dihydro-2-benzothiophen-5-yl)amino]methylidene}-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, Cyclin-dependent kinase 2, GLYCEROL | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the cdk2 in complex with oxindole inhibitor To be Published
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4FKL
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![BU of 4fkl by Molmil](/molmil-images/mine/4fkl) | |
4FSN
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![BU of 4fsn by Molmil](/molmil-images/mine/4fsn) | Crystal Structure of the CHK1 | Descriptor: | 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, ISOPROPYL ALCOHOL, SULFATE ION, ... | Authors: | Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. | Deposit date: | 2012-06-27 | Release date: | 2012-08-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the CHK1 To be Published
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4FUB
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![BU of 4fub by Molmil](/molmil-images/mine/4fub) | Crystal Structure of the Urokinase | Descriptor: | 6-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V. | Deposit date: | 2012-06-28 | Release date: | 2012-08-22 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Urokinase to be published
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4FV2
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![BU of 4fv2 by Molmil](/molmil-images/mine/4fv2) | Crystal Structure of the ERK2 complexed with EK5 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, GLYCEROL, ... | Authors: | Kang, Y.N, Stuckey, J.A, Xie, X. | Deposit date: | 2012-06-29 | Release date: | 2012-08-29 | Last modified: | 2014-09-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the ERK2 complexed with EK5 TO BE PUBLISHED
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