8VV3
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![BU of 8vv3 by Molmil](/molmil-images/mine/8vv3) | |
8UVU
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6BCZ
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![BU of 6bcz by Molmil](/molmil-images/mine/6bcz) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-20 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
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6BD6
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![BU of 6bd6 by Molmil](/molmil-images/mine/6bd6) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-21 | Release date: | 2017-12-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
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3V6B
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![BU of 3v6b by Molmil](/molmil-images/mine/3v6b) | VEGFR-2/VEGF-E complex structure | Descriptor: | VEGF-E, Vascular endothelial growth factor receptor 2 | Authors: | Brozzo, M.S, Leppanen, V.-M, Winkler, F.K, Kisko, K, Ballmer-Hofer, K. | Deposit date: | 2011-12-19 | Release date: | 2012-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.205 Å) | Cite: | Thermodynamic and structural description of allosterically regulated VEGFR-2 dimerization. Blood, 119, 2012
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4MWD
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![BU of 4mwd by Molmil](/molmil-images/mine/4mwd) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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3V2A
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![BU of 3v2a by Molmil](/molmil-images/mine/3v2a) | VEGFR-2/VEGF-A COMPLEX STRUCTURE | Descriptor: | Vascular endothelial growth factor A, Vascular endothelial growth factor receptor 2 | Authors: | Brozzo, M.S, Leppanen, V.-M, Winkler, F.K, Ballmer-Hofer, K. | Deposit date: | 2011-12-12 | Release date: | 2012-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.204 Å) | Cite: | Thermodynamic and structural description of allosterically regulated VEGFR-2 dimerization. Blood, 119, 2012
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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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5HEB
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![BU of 5heb by Molmil](/molmil-images/mine/5heb) | The third PDZ domain from the synaptic protein PSD-95 in complex with a C-terminal peptide derived from CRIPT | Descriptor: | Cysteine-rich PDZ-binding protein, Disks large homolog 4, GLYCEROL | Authors: | White, K.I, Raman, A.S, Ranganathan, R. | Deposit date: | 2016-01-05 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Origins of Allostery and Evolvability in Proteins: A Case Study. Cell(Cambridge,Mass.), 166, 2016
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6BD5
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![BU of 6bd5 by Molmil](/molmil-images/mine/6bd5) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl (2-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}ethyl)carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-21 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
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5L1P
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![BU of 5l1p by Molmil](/molmil-images/mine/5l1p) | X-ray Structure of Cytochrome P450 PntM with Pentalenolactone | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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6BDK
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![BU of 6bdk by Molmil](/molmil-images/mine/6bdk) | Crystal structure of human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2017-10-23 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
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2FPP
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![BU of 2fpp by Molmil](/molmil-images/mine/2fpp) | Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol with chloride ions | Descriptor: | CHLORIDE ION, SULFATE ION, Succinyl-CoA ligase [GDP-forming] alpha-chain, ... | Authors: | Fraser, M.E, Hayakawa, K, Hume, M.S, Ryan, D.G, Brownie, E.R. | Deposit date: | 2006-01-16 | Release date: | 2006-02-21 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Interactions of GTP with the ATP-grasp Domain of GTP-specific Succinyl-CoA Synthetase J.Biol.Chem., 281, 2006
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4MW9
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![BU of 4mw9 by Molmil](/molmil-images/mine/4mw9) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478) | Descriptor: | 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MWB
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![BU of 4mwb by Molmil](/molmil-images/mine/4mwb) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509) | Descriptor: | 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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5Y6L
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![BU of 5y6l by Molmil](/molmil-images/mine/5y6l) | |
4MVX
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![BU of 4mvx by Molmil](/molmil-images/mine/4mvx) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MVY
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![BU of 4mvy by Molmil](/molmil-images/mine/4mvy) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.314 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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6XXU
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![BU of 6xxu by Molmil](/molmil-images/mine/6xxu) | Solution NMR structure of the native form of UbcH7 (UBE2L3) | Descriptor: | Ubiquitin-conjugating enzyme E2 L3 | Authors: | Marousis, K.D, Seliami, A, Birkou, M, Episkopou, V, Spyroulias, G.A. | Deposit date: | 2020-01-28 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | 1H,13C,15N backbone and side-chain resonance assignment of the native form of UbcH7 (UBE2L3) through solution NMR spectroscopy. Biomol.Nmr Assign., 14, 2020
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5HED
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![BU of 5hed by Molmil](/molmil-images/mine/5hed) | |
5HFC
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![BU of 5hfc by Molmil](/molmil-images/mine/5hfc) | |
3TEH
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![BU of 3teh by Molmil](/molmil-images/mine/3teh) | Crystal structure of Thermus thermophilus Phenylalanyl-tRNA synthetase complexed with L-dopa | Descriptor: | 3,4-DIHYDROXYPHENYLALANINE, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain | Authors: | Safro, M, Klipcan, L, Moor, N. | Deposit date: | 2011-08-14 | Release date: | 2011-11-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8524 Å) | Cite: | Bacterial and Eukaryotic Phenylalanyl-tRNA Synthetases Catalyze Misaminoacylation of tRNA(Phe) with 3,4-Dihydroxy-L-Phenylalanine. Chem.Biol., 18, 2011
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2GEP
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![BU of 2gep by Molmil](/molmil-images/mine/2gep) | SULFITE REDUCTASE HEMOPROTEIN, OXIDIZED, SIROHEME FEIII [4FE-4S] +2,SULFITE COMPLEX | Descriptor: | IRON/SULFUR CLUSTER, SIROHEME, SODIUM ION, ... | Authors: | Crane, B.R, Getzoff, E.D. | Deposit date: | 1997-07-10 | Release date: | 1998-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products. Biochemistry, 36, 1997
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6SPN
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![BU of 6spn by Molmil](/molmil-images/mine/6spn) | Structure of the Escherichia coli methionyl-tRNA synthetase complexed with beta-methionine | Descriptor: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Nigro, G, Schmitt, E, Mechulam, Y. | Deposit date: | 2019-09-02 | Release date: | 2020-01-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase. J.Struct.Biol., 209, 2020
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3B7W
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![BU of 3b7w by Molmil](/molmil-images/mine/3b7w) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A, with L64P mutation | Descriptor: | Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, CHLORIDE ION, ... | Authors: | Pilka, E.S, Kochan, G.T, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A. J.Mol.Biol., 388, 2009
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