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7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-04-27
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
6DNS
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BU of 6dns by Molmil
Endo-fucoidan hydrolase MfFcnA9 from glycoside hydrolase family 107
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION
Authors:Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B.
Deposit date:2018-06-07
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
J. Biol. Chem., 293, 2018
6DLH
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BU of 6dlh by Molmil
Endo-fucoidan hydrolase MfFcnA4 from glycoside hydrolase family 107
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION, ...
Authors:Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B.
Deposit date:2018-06-01
Release date:2018-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
J. Biol. Chem., 293, 2018
6CO4
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BU of 6co4 by Molmil
Structure of the Rpn13-Rpn2 complex provides insights for Rpn13 and Uch37 as anticancer targets
Descriptor: 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1
Authors:Lu, X, Walters, K.J.
Deposit date:2018-03-11
Release date:2018-04-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the Rpn13-Rpn2 complex provides insights for Rpn13 and Uch37 as anticancer targets.
Nat Commun, 8, 2017
6DMS
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BU of 6dms by Molmil
Endo-fucoidan hydrolase MfFcnA4_H294Q from glycoside hydrolase family 107
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION
Authors:Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B.
Deposit date:2018-06-05
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
J. Biol. Chem., 293, 2018
4XTX
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BU of 4xtx by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH
Descriptor: 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.30010319 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTY
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BU of 4xty by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH
Descriptor: 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.80002666 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XEW
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BU of 4xew by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, R.
Deposit date:2014-12-25
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4XTW
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BU of 4xtw by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH
Descriptor: 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.30014467 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTZ
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BU of 4xtz by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH
Descriptor: 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.90000677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU2
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BU of 4xu2 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose
Descriptor: 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8500284 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU0
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BU of 4xu0 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has a 2'-methyl on the ribose
Descriptor: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.60000169 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
8J72
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BU of 8j72 by Molmil
Crystal structure of mammalian Trim71 in complex with lncRNA Trincr1
Descriptor: E3 ubiquitin-protein ligase TRIM71, lncRNA Trincr1
Authors:Shi, F.D, Zhang, K, Che, S.Y, Zhi, S.X, Yang, N.
Deposit date:2023-04-27
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Molecular mechanism governing RNA-binding property of mammalian TRIM71 protein.
Sci Bull (Beijing), 69, 2024
4WYE
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BU of 4wye by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a DSF fragment hit
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETONE, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Dai, R, Finzel, B.C.
Deposit date:2014-11-17
Release date:2015-07-08
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4XTV
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BU of 4xtv by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)
Descriptor: Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45000839 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU1
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BU of 4xu1 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
Descriptor: 1,2-ETHANEDIOL, Bifunctional ligase/repressor BirA, DIMETHYL SULFOXIDE, ...
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.70001328 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU3
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BU of 4xu3 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose
Descriptor: Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.242677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
6C17
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BU of 6c17 by Molmil
Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol
Descriptor: 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Pinney, M, Herschlag, D.
Deposit date:2018-01-04
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
3P9G
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BU of 3p9g by Molmil
Crystal structure of the TSG101 UEV domain in complex with FA459 peptide
Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein
Authors:Hurley, J.H, Im, Y.J.
Deposit date:2010-10-17
Release date:2011-06-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Elucidation of New Binding Interactions with the Tumor Susceptibility Gene 101 (Tsg101) Protein Using Modified HIV-1 Gag-p6 Derived Peptide Ligands.
ACS Med Chem Lett, 2, 2011
3P9H
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BU of 3p9h by Molmil
Crystal structure of the TSG101 UEV domain in complex with FA258 peptide
Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein
Authors:Hurley, J.H, Im, Y.J.
Deposit date:2010-10-17
Release date:2011-06-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Elucidation of New Binding Interactions with the Tumor Susceptibility Gene 101 (Tsg101) Protein Using Modified HIV-1 Gag-p6 Derived Peptide Ligands.
ACS Med Chem Lett, 2, 2011
3OBU
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BU of 3obu by Molmil
Crystal structure of the Tsg101 UEV domain in complex with a HIV-1 PTAP peptide
Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
3OBQ
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BU of 3obq by Molmil
Crystal Structure of the Tsg101 UEV domain in complex with a human HRS PSAP peptide
Descriptor: Hepatocyte growth factor-regulated tyrosine kinase substrate, Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
3OBX
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BU of 3obx by Molmil
Crystal structure of the Tsg101 UEV domain in complex with a HIV-1 Gag P7A mutant peptide
Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
3OBS
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BU of 3obs by Molmil
Crystal structure of Tsg101 UEV domain
Descriptor: Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
7XO2
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BU of 7xo2 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-04-30
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023

223532

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