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4Q0A
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BU of 4q0a by Molmil
Vitamin D Receptor complex with lithocholic acid
Descriptor: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Nuclear receptor coactivator 2, Vitamin D3 receptor A
Authors:Belorusova, A, Rochel, N.
Deposit date:2014-04-01
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the molecular mechanism of vitamin d receptor activation by lithocholic Acid involving a new mode of ligand recognition.
J.Med.Chem., 57, 2014
4MNX
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BU of 4mnx by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811
Descriptor: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2013-09-11
Release date:2014-02-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
4OB2
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BU of 4ob2 by Molmil
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Crystal Soaking
Descriptor: 1-BUTANE BORONIC ACID, COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, ...
Authors:Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L.
Deposit date:2014-01-06
Release date:2014-11-26
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
4RPL
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BU of 4rpl by Molmil
Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with tetrafluorinated substrate analog UDP-F4-Galp
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2014-10-30
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2499 Å)
Cite:Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues.
J.Am.Chem.Soc., 137, 2015
4RPG
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BU of 4rpg by Molmil
Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with substrate UDP-Galp
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase, ...
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2014-10-30
Release date:2015-01-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4001 Å)
Cite:Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues.
J.Am.Chem.Soc., 137, 2015
1XCA
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BU of 1xca by Molmil
APO-CELLULAR RETINOIC ACID BINDING PROTEIN II
Descriptor: CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II
Authors:Chen, X, Ji, X.
Deposit date:1996-12-31
Release date:1998-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry.
J.Mol.Biol., 278, 1998
4OB1
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BU of 4ob1 by Molmil
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Co-crystallization
Descriptor: 1-BUTANE BORONIC ACID, COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, ...
Authors:Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L.
Deposit date:2014-01-06
Release date:2014-11-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
6JXU
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BU of 6jxu by Molmil
SUMO1 bound to SLS4-SIM peptide from ICP0
Descriptor: Small ubiquitin-related modifier, viral protein
Authors:Hembram, D.S.S, Negi, H, Shet, D, Das, R.
Deposit date:2019-04-25
Release date:2020-02-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2.
J.Mol.Biol., 432, 2020
3N5A
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BU of 3n5a by Molmil
Synaptotagmin-7, C2B-domain, calcium bound
Descriptor: CALCIUM ION, Synaptotagmin-7
Authors:Tomchick, D.R, Rizo, J, Craig, T.K.
Deposit date:2010-05-24
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.441 Å)
Cite:Structural and mutational analysis of functional differentiation between synaptotagmins-1 and -7.
Plos One, 5, 2010
1UMC
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BU of 1umc by Molmil
branched-chain 2-oxo acid dehydrogenase (E1) from Thermus thermophilus HB8 with 4-methylpentanoate
Descriptor: 2-oxo acid dehydrogenase alpha subunit, 2-oxo acid dehydrogenase beta subunit, 4-METHYL VALERIC ACID, ...
Authors:Nakai, T, Nakagawa, N, Maoka, N, Masui, R, Kuramitsu, S, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-25
Release date:2004-03-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand-induced Conformational Changes and a Reaction Intermediate in Branched-chain 2-Oxo Acid Dehydrogenase (E1) from Thermus thermophilus HB8, as Revealed by X-ray Crystallography
J.Mol.Biol., 337, 2004
2ARC
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BU of 2arc by Molmil
ESCHERICHIA COLI REGULATORY PROTEIN ARAC COMPLEXED WITH L-ARABINOSE
Descriptor: ARABINOSE OPERON REGULATORY PROTEIN, alpha-L-arabinopyranose
Authors:Soisson, S.M, Wolberger, C.
Deposit date:1996-10-29
Release date:1997-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for ligand-regulated oligomerization of AraC.
Science, 276, 1997
1YH2
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BU of 1yh2 by Molmil
Ubiquitin-Conjugating Enzyme HSPC150
Descriptor: HSPC150 protein similar to ubiquitin-conjugating enzyme
Authors:Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-01-06
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
1STS
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BU of 1sts by Molmil
STREPTAVIDIN DIMERIZED BY DISULFIDE-BONDED PEPTIDE FCHPQNT-NH2 DIMER
Descriptor: FCHPQNT-NH2, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T, Liu, B, Arze, R, Collins, N.
Deposit date:1995-09-12
Release date:1996-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Topochemical catalysis achieved by structure-based ligand design.
J.Biol.Chem., 270, 1995
1STR
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BU of 1str by Molmil
STREPTAVIDIN DIMERIZED BY DISULFIDE-BONDED PEPTIDE AC-CHPQNT-NH2 DIMER
Descriptor: AC-CHPQNT-NH2, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T, Liu, B, Arze, R, Collins, N.
Deposit date:1995-09-12
Release date:1996-03-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Topochemical catalysis achieved by structure-based ligand design.
J.Biol.Chem., 270, 1995
2LAV
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BU of 2lav by Molmil
NMR solution structure of human Vaccinia-Related Kinase 1
Descriptor: Vaccinia-related kinase 1
Authors:Shin, J, Yoon, H.S.
Deposit date:2011-03-21
Release date:2011-05-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Solution Structure of Human Vaccinia-related Kinase 1 (VRK1) Reveals the C-terminal Tail Essential for Its Structural Stability and Autocatalytic Activity.
J.Biol.Chem., 286, 2011
8X7I
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BU of 8x7i by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub in complex with H2AK13Ub nucleosomes determined by intein-based E2-Ub-NCP conjugation strategy
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
Deposit date:2023-11-24
Release date:2024-08-07
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
8X7K
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BU of 8x7k by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub in complex with H2AK13Ub nucleosomes determined by activity-based chemical trapping strategy (adjacent H2AK13/15 dual-monoubiquitination)
Descriptor: DNA (143-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
Deposit date:2023-11-24
Release date:2024-08-07
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
8X7J
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BU of 8x7j by Molmil
Cryo-EM structures of RNF168/UbcH5c-Ub/nucleosomes complex determined by activity-based chemical trapping strategy
Descriptor: DNA (144-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Ai, H.S, Tong, Z.B, Deng, Z.H, Pan, M, Liu, L.
Deposit date:2023-11-24
Release date:2024-08-07
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Capturing Snapshots of Nucleosomal H2A K13/K15 Ubiquitination Mediated by the Monomeric E3 Ligase RNF168
Biorxiv, 2024
3OEA
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BU of 3oea by Molmil
Crystal structure of the Q121E mutants of C.polysaccharolyticus CBM16-1 bound to cellopentaose
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Agarwal, V, Nair, S.K.
Deposit date:2010-08-12
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mutational insights into the roles of amino acid residues in ligand binding for two closely related family 16 carbohydrate binding modules.
J.Biol.Chem., 285, 2010
6UHN
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BU of 6uhn by Molmil
Crystal Structure of C148 mGFP-cDNA-1
Descriptor: C148 mGFP-cDNA-1, UNKNOWN LIGAND
Authors:Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
Deposit date:2019-09-27
Release date:2020-03-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
2OVQ
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BU of 2ovq by Molmil
Structure of the Skp1-Fbw7-CyclinEdegC complex
Descriptor: F-box/WD repeat protein 7, S-phase kinase-associated protein 1A, SULFATE ION, ...
Authors:Hao, B, Oehlmann, S, Sowa, M.E, Harper, J.W, Pavletich, N.P.
Deposit date:2007-02-14
Release date:2007-04-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a Fbw7-Skp1-Cyclin E Complex: Multisite-Phosphorylated Substrate Recognition by SCF Ubiquitin Ligases
Mol.Cell, 26, 2007
4EH3
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BU of 4eh3 by Molmil
Human p38 MAP kinase in complex with NP-F2 and RL87
Descriptor: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
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 (2.4 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
6UHQ
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BU of 6uhq by Molmil
Crystal Structure of C148 mGFP-cDNA-3
Descriptor: C148 mGFP-cDNA-3, UNKNOWN LIGAND
Authors:Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
Deposit date:2019-09-27
Release date:2020-03-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
2OVP
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BU of 2ovp by Molmil
Structure of the Skp1-Fbw7 complex
Descriptor: F-box/WD repeat protein 7, S-phase kinase-associated protein 1A
Authors:Hao, B, Oehlmann, S, Sowa, M.E, Harper, J.W, Pavletich, N.P.
Deposit date:2007-02-14
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a Fbw7-Skp1-Cyclin E Complex: Multisite-Phosphorylated Substrate Recognition by SCF Ubiquitin Ligases
Mol.Cell, 26, 2007
8B0Z
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BU of 8b0z by Molmil
Galectin-1 in Complex with Ligand JM171
Descriptor: BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ...
Authors:Grimm, C, Mut, J, Seibel, J.
Deposit date:2022-09-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Galectin-1 in Complex with Ligand JM171
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