7KVH
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.791 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7KVM
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7KVK
| Human CYP3A4 bound to an inhibitor | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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7KMY
| Structure of Mtb Lpd bound to 010705 | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Lima, C.D. | Deposit date: | 2020-11-03 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions. Acs Infect Dis., 7, 2021
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8OOD
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8OO5
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6HL6
| Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693) | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | Authors: | Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J. | Deposit date: | 2018-09-10 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693) To Be Published
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4BJ1
| Crystal structure of Saccharomyces cerevisiae RIF2 | Descriptor: | CHLORIDE ION, PROTEIN RIF2 | Authors: | Shi, T, Bunker, R.D, Gut, H, Scrima, A, Thoma, N.H. | Deposit date: | 2013-04-15 | Release date: | 2013-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Rif1 and Rif2 Shape Telomere Funcation and Architecture Through Multivalent RAP1 Interactions Cell(Cambridge,Mass.), 153, 2013
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6HOL
| Structure of ATG14 LIR motif bound to GABARAPL1 | Descriptor: | Beclin 1-associated autophagy-related key regulator, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1, ... | Authors: | Mouilleron, S, Birgisdottir, A.B, Bhujbal, Z, Wirth, M, Sjottem, E, Evjen, G, Zhang, W, Lee, R, O'Reilly, N, Tooze, S, Lamark, T, Johansen, T. | Deposit date: | 2018-09-17 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs. Autophagy, 15, 2019
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7KVO
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Sevrioukova, I. | Deposit date: | 2020-11-28 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength. Int J Mol Sci, 22, 2021
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6HGD
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6HGG
| Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with cortisol | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | Authors: | Schmidt, K, Muller, Y.A. | Deposit date: | 2018-08-23 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy. J.Struct.Biol., 207, 2019
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6HGM
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7DAJ
| The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa | Descriptor: | ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, chloroplastic | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | Deposit date: | 2020-10-16 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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4EES
| Crystal structure of iLOV | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2012-03-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability. J.Biol.Chem., 287, 2012
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7DAI
| The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa | Descriptor: | Serotonin N-acetyltransferase 1, chloroplastic | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | Deposit date: | 2020-10-16 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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2Q3X
| The RIM1alpha C2B domain | Descriptor: | CHLORIDE ION, Regulating synaptic membrane exocytosis protein 1, SODIUM ION, ... | Authors: | Guan, R, Dai, H, Tomchick, D.R, Machius, M, Sudhof, T.C, Rizo, J. | Deposit date: | 2007-05-30 | Release date: | 2007-08-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal Structure of the RIM1alpha C(2)B Domain at 1.7 A Resolution. Biochemistry, 46, 2007
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7DAL
| The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from Oryza Sativa | Descriptor: | ACETYL COENZYME *A, SEROTONIN, Serotonin N-acetyltransferase 1, ... | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | Deposit date: | 2020-10-16 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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4EH5
| Human p38 MAP kinase in complex with NP-F4 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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7DAK
| The crystal structure of a serotonin N-acetyltransferase in complex with 5-Methoxytryptamine and acetyl-CoA from Oryza Sativa | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)ethanamine, ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, ... | Authors: | Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C. | Deposit date: | 2020-10-16 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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4EQ4
| Crystal structure of seleno-methionine derivatized GH3.12 | Descriptor: | 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE | Authors: | Zubieta, C, Nanao, M, Jez, J, Westfall, C, Kapp, U. | Deposit date: | 2012-04-18 | Release date: | 2012-06-20 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | Structural basis for prereceptor modulation of plant hormones by GH3 proteins. Science, 336, 2012
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4EO7
| Crystal structure of the TIR domain of human myeloid differentiation primary response protein 88. | Descriptor: | MAGNESIUM ION, Myeloid differentiation primary response protein MyD88 | Authors: | Snyder, G.A, Cirl, C, Jiang, J.S, Chen, P, Smith, T, Xiao, T.S. | Deposit date: | 2012-04-13 | Release date: | 2013-04-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli. Proc.Natl.Acad.Sci.USA, 110, 2013
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6K4U
| Crystal structure of xCas9 in complex with sgRNA and DNA (TGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-27 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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7LQR
| Structure of conotoxin CIC | Descriptor: | Alpha-conotoxin CIC | Authors: | Evans, E.R.J, Daly, N.L. | Deposit date: | 2021-02-15 | Release date: | 2021-04-21 | Method: | SOLUTION NMR | Cite: | Synthesis, Structural and Pharmacological Characterizations of CIC, a Novel alpha-Conotoxin with an Extended N-Terminal Tail. Mar Drugs, 19, 2021
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7LQS
| Structure of truncated conotoxin CIC | Descriptor: | Alpha-conotoxin CIC | Authors: | Evans, E.R.J, Daly, N.L. | Deposit date: | 2021-02-15 | Release date: | 2021-04-21 | Method: | SOLUTION NMR | Cite: | Synthesis, Structural and Pharmacological Characterizations of CIC, a Novel alpha-Conotoxin with an Extended N-Terminal Tail. Mar Drugs, 19, 2021
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