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3T5B
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BU of 3t5b by Molmil
Crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
Descriptor: PROBABLE CHAIN-FATTY-ACID-CoA LIGASE FADD13
Authors:Goyal, A, Sankaranarayanan, R.
Deposit date:2011-07-27
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of the functional divergence of fatty acyl-AMP ligase biosynthetic enzymes of Mycobacterium tuberculosis.
J.Mol.Biol., 416, 2012
7XZ1
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BU of 7xz1 by Molmil
TRIM E3 ubiquitin ligase
Descriptor: Tripartite motif-containing protein 72, ZINC ION
Authors:Park, S.H, Song, H.K.
Deposit date:2022-06-02
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (5.2 Å)
Cite:Structure and activation of the RING E3 ubiquitin ligase TRIM72 on the membrane.
Nat.Struct.Mol.Biol., 30, 2023
5IDH
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BU of 5idh by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
Descriptor: 8-bromooctanoic acid, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-24
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
To Be Published
8EVV
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BU of 8evv by Molmil
Apo form of DdlA from Pseudomonas aeruginosa PAO1
Descriptor: D-alanine--D-alanine ligase A
Authors:Pederick, J.L, Woolman, J.C, Bruning, J.B.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
5ICH
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BU of 5ich by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
Descriptor: 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-23
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
to be published
6R6H
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BU of 6r6h by Molmil
Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Morris, E.P, Faull, S.V, Lau, A.M.C, Politis, A, Beuron, F, Cronin, N.
Deposit date:2019-03-27
Release date:2019-08-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome.
Nat Commun, 10, 2019
1S69
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BU of 1s69 by Molmil
The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with cyanide ligand
Descriptor: CITRATE ANION, CYANIDE ION, Cyanoglobin, ...
Authors:Trent III, J.T, Kundu, S, Hoy, J.A, Hargrove, M.S.
Deposit date:2004-01-22
Release date:2004-09-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystallographic analysis of synechocystis cyanoglobin reveals the structural changes accompanying ligand binding in a hexacoordinate hemoglobin.
J.Mol.Biol., 341, 2004
7UK6
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BU of 7uk6 by Molmil
Apo form of YjfC from Escherichia coli K-12
Descriptor: Putative acid--amine ligase YjfC, SULFATE ION
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-31
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
7UK8
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BU of 7uk8 by Molmil
Apo form of YgiC from Escherichia coli K-12
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Putative acid--amine ligase YgiC, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-31
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
7UKA
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BU of 7uka by Molmil
YgiC from Escherichia coli K-12 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NICKEL (II) ION, Putative acid--amine ligase YgiC, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-31
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
7UK7
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BU of 7uk7 by Molmil
YjfC from Escherichia coli K-12 in complex with ADP, Mg2+ and SO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative acid--amine ligase YjfC, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-31
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
5N66
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BU of 5n66 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
Authors:Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
4FHT
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BU of 4fht by Molmil
Crystal Structure of the PcaV transcriptional regulator from Streptomyces coelicolor in complex with its natural ligand
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, PcaV transcriptional regulator
Authors:Brown, B.L, Davis, J.R, Sello, J.K, Page, R.
Deposit date:2012-06-06
Release date:2013-04-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Study of PcaV from Streptomyces coelicolor yields new insights into ligand-responsive MarR family transcription factors.
Nucleic Acids Res., 41, 2013
3L1S
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BU of 3l1s by Molmil
3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3
Descriptor: (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
Authors:Haar, T.E.
Deposit date:2009-12-14
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.
Bioorg.Med.Chem.Lett., 20, 2010
5H8T
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BU of 5h8t by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol
Descriptor: RETINOL, Retinol-binding protein 1
Authors:Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S.
Deposit date:2015-12-23
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
7ZBZ
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BU of 7zbz by Molmil
CAND1 delhairpin-SCF-SKP2 CAND1 partly engaged SCF partly rocked
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2022-03-24
Release date:2023-04-19
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
7Z8V
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BU of 7z8v by Molmil
CAND1-SCF-SKP2 (SKP1deldel) CAND1 engaged SCF rocked
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2022-03-18
Release date:2023-04-19
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
7Z8T
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BU of 7z8t by Molmil
CAND1-SCF-SKP2 CAND1 engaged SCF rocked
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2022-03-18
Release date:2023-04-19
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
7ZBW
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BU of 7zbw by Molmil
CAND1-SCF-SKP2 CAND1 rolling-2 SCF engaged
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2022-03-24
Release date:2023-04-19
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
5HBS
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BU of 5hbs by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol at 0.89 angstrom.
Descriptor: RETINOL, Retinol-binding protein 1
Authors:Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S.
Deposit date:2016-01-02
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
1S6A
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BU of 1s6a by Molmil
The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with azide ligand
Descriptor: AZIDE ION, CITRATE ANION, Cyanoglobin, ...
Authors:Trent III, J.T, Kundu, S, Hoy, J.A, Hargrove, M.S.
Deposit date:2004-01-22
Release date:2004-09-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystallographic analysis of synechocystis cyanoglobin reveals the structural changes accompanying ligand binding in a hexacoordinate hemoglobin.
J.Mol.Biol., 341, 2004
5N63
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BU of 5n63 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c
Descriptor: Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
Authors:Buehrmann, M, Mueller, M.P, Rauh, D.
Deposit date:2017-02-14
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
3JXT
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BU of 3jxt by Molmil
Crystal structure of the third PDZ domain of SAP-102 in complex with a fluorogenic peptide-based ligand
Descriptor: ACETATE ION, Disks large homolog 3, Voltage-dependent calcium channel gamma-2 subunit
Authors:Sainlos, M, Olivier, N.B, Imperiali, B.
Deposit date:2009-09-21
Release date:2010-09-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caged mono- and divalent ligands for light-assisted disruption of PDZ domain-mediated interactions.
J.Am.Chem.Soc., 135, 2013
6F6G
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BU of 6f6g by Molmil
R2-like ligand-binding oxidase V72I mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
6F6B
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BU of 6f6b by Molmil
R2-like ligand-binding oxidase A171F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019

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