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7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
6TQI
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BU of 6tqi by Molmil
I-MOTIF STRUCTURE FORMED FROM THE C STRAND OF A HUMAN TELOMERE FRAGMENT
Descriptor: DNA (5'-*TP*AP*AP*CP*CP*CP*TP*AP*A-3')
Authors:Parkinson, G.N, Wagner, A, Viladoms-Claverol, J, Duman, R, El-Omari, K.
Deposit date:2019-12-16
Release date:2020-06-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
3AWD
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BU of 3awd by Molmil
Crystal structure of gox2181
Descriptor: CADMIUM ION, MAGNESIUM ION, Putative polyol dehydrogenase
Authors:Adam Yuan, Y, Yuan, Z.
Deposit date:2011-03-18
Release date:2012-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and structural analysis of Gox2181, a new member of the SDR superfamily from Gluconobacter oxydans.
Biochem.Biophys.Res.Commun., 415, 2011
3C1X
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BU of 3c1x by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-MET in complex with a Pyrrolotriazine based inhibitor
Descriptor: Hepatocyte growth factor receptor, N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
Authors:Sack, J.
Deposit date:2008-01-24
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Identification of pyrrolo[2,1-f][1,2,4]triazine-based inhibitors of Met kinase.
Bioorg.Med.Chem.Lett., 18, 2008
3WJ7
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BU of 3wj7 by Molmil
Crystal structure of gox2253
Descriptor: MERCURY (II) ION, Putative oxidoreductase
Authors:Yuan, Y.A, Yin, B.
Deposit date:2013-10-05
Release date:2014-06-04
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into substrate and coenzyme preference by SDR family protein Gox2253 from Gluconobater oxydans.
Proteins, 82, 2014
6JJI
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BU of 6jji by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4 (1:1)
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Authors:Zhang, Y.S, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJH
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BU of 6jjh by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Authors:Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6JJF
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BU of 6jjf by Molmil
Crystal structure of a two-quartet DNA mixed-parallel/antiparallel G-quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*GP*CP*TP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3'), POTASSIUM ION, ...
Authors:Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
Descriptor: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
Authors:Sack, J.S, Critton, D.A.
Deposit date:2021-11-11
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
3CTH
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BU of 3cth by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: Hepatocyte growth factor receptor, N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CTJ
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BU of 3ctj by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3F82
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BU of 3f82 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-11-11
Release date:2009-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily
J.Med.Chem., 52, 2009
3WUY
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BU of 3wuy by Molmil
Crystal structure of Nit6803
Descriptor: Nitrilase
Authors:Yuan, Y.A, Yin, B, Wang, C.
Deposit date:2014-05-09
Release date:2014-12-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803
J.Struct.Biol., 188, 2014
5CHL
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BU of 5chl by Molmil
Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex
Descriptor: Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog
Authors:Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z.
Deposit date:2015-07-10
Release date:2016-03-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
4GE6
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BU of 4ge6 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 7
Descriptor: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Zhang, Z.-Y, Liu, S, Zhang, S.
Deposit date:2012-08-01
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
4GE2
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BU of 4ge2 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 3
Descriptor: N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Zhang, Z.-Y, Liu, S, Zhang, S.
Deposit date:2012-08-01
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
4GE5
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BU of 4ge5 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 5
Descriptor: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Zhang, Z.-Y, Liu, S, Zhang, S.
Deposit date:2012-08-01
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
Descriptor: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Li, Z, Zhou, Z, Yu, X.
Deposit date:2020-11-08
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Li, Z, Yu, X.
Deposit date:2020-12-14
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
5XXY
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BU of 5xxy by Molmil
Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A
Descriptor: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab
Authors:Zhou, A, Zhang, F.
Deposit date:2017-07-05
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab.
Oncotarget, 8, 2017
7YP2
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BU of 7yp2 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
Descriptor: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
Descriptor: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
Descriptor: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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