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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
4IAN
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BU of 4ian by Molmil
Crystal Structure of apo Human PRPF4B kinase domain
Descriptor: SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
Authors:Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
Deposit date:2012-12-06
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IFC
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BU of 4ifc by Molmil
Crystal Structure of ADP-bound Human PRPF4B kinase domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
Authors:Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
Deposit date:2012-12-14
Release date:2013-08-28
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IJP
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BU of 4ijp by Molmil
Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
Descriptor: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
Authors:Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
Deposit date:2012-12-22
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
Deposit date:2012-12-20
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
8CY8
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BU of 8cy8 by Molmil
apo form Cryo-EM structure of Campylobacter jejune ketol-acid reductoisommerase crosslinked by Glutaraldehyde
Descriptor: Ketol-acid reductoisomerase (NADP(+)), PENTANEDIAL
Authors:Zheng, S, Guddat, L.W.
Deposit date:2022-05-23
Release date:2023-02-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals
Appl Biosci, 2022
3B7V
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BU of 3b7v by Molmil
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate NLLTQI
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Kovalevsky, A.Y, Chumanevich, A.A, Weber, I.T.
Deposit date:2007-10-31
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate.
Biochemistry, 46, 2007
3B80
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BU of 3b80 by Molmil
HIV-1 protease mutant I54V complexed with gem-diol-amine intermediate NLLTQI
Descriptor: CHLORIDE ION, Protease, SODIUM ION, ...
Authors:Chumanevich, A.A, Kovalevsky, A.Y, Weber, I.T.
Deposit date:2007-10-31
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate.
Biochemistry, 46, 2007
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
3FVH
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BU of 3fvh by Molmil
Polo-like kinase 1 Polo box domain in complex with Ac-LHSpTA-NH2 peptide
Descriptor: Acetyl-Leu-His-Ser-phosphoThr-Ala-NH2 peptide, Serine/threonine-protein kinase PLK1
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2009-01-15
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1
Nat.Struct.Mol.Biol., 16, 2009
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
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
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
6B1V
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BU of 6b1v by Molmil
Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-09-19
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
6B0K
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BU of 6b0k by Molmil
Crystal structure of Ps i-CgsB C78S in complex with k-carrapentaose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, ...
Authors:Hettle, A, Boraston, A.B.
Deposit date:2017-09-14
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
6B0J
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BU of 6b0j by Molmil
Crystal structure of Ps i-CgsB in complex with k-i-k-neocarrahexaose
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-09-14
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
6BJ3
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BU of 6bj3 by Molmil
TCR55 in complex with HIV(Pol448-456)/HLA-B35
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HIV Pol B35 peptide, ...
Authors:Jude, K.M, Sibener, L.V, Garcia, K.C.
Deposit date:2017-11-03
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
6BJ8
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BU of 6bj8 by Molmil
TCR55 in complex with Pep20/HLA-B35
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Jude, K.M, Sibener, L.V, Yang, X, Garcia, K.C.
Deposit date:2017-11-05
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
6BJ2
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BU of 6bj2 by Molmil
TCR589 in complex with HIV(Pol448-456)/HLA-B35
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Jude, K.M, Sibener, L.V, Garcia, K.C.
Deposit date:2017-11-03
Release date:2018-07-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 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
6BIA
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BU of 6bia by Molmil
Crystal structure of Ps i-CgsB
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-11-01
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
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
7JLX
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BU of 7jlx by Molmil
Structure of the activated Roq1 resistosome directly recognizing the pathogen effector XopQ (TIR domains)
Descriptor: Disease resistance protein Roq1
Authors:Martin, R, Qi, T, Zhang, H, Lui, F, King, M, Toth, C, Nogales, E, Staskawicz, B.J.
Deposit date:2020-07-30
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ.
Science, 370, 2020

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