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4YGO
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BU of 4ygo by Molmil
Dodecameric structure of spermidine N-acetyltransferase from Vibrio cholerae in intermediate state
Descriptor: CALCIUM ION, METHANOL, Spermidine n1-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-02-26
Release date:2015-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate-Induced Allosteric Change in the Quaternary Structure of the Spermidine N-Acetyltransferase SpeG.
J.Mol.Biol., 427, 2015
4OB3
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BU of 4ob3 by Molmil
Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila : A Reference Structure to Boronic Acid Inhibition of Nitrile Hydratase
Descriptor: COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta, ...
Authors:Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L.
Deposit date:2014-01-06
Release date:2014-11-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
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
1KM2
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BU of 1km2 by Molmil
crystal structure of orotidine monophosphate mutant Q185A with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
5CF3
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BU of 5cf3 by Molmil
Crystal structures of Bbp from Staphylococcus aureus
Descriptor: Bone sialoprotein-binding protein, CALCIUM ION
Authors:Yu, Y, Zhang, X.Y, Gu, J.K.
Deposit date:2015-07-08
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Crystal structures of Bbp from Staphylococcus aureus reveal the ligand binding mechanism with Fibrinogen alpha
Protein Cell, 6, 2015
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
Descriptor: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Joshi, A, Bayliss, R.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
8INR
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BU of 8inr by Molmil
Cryo-EM structure of the alpha-MSH-bound human melanocortin receptor 5 (MC5R)-Gs complex
Descriptor: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,HiBiT, ...
Authors:Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W.
Deposit date:2023-03-10
Release date:2023-09-20
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
8IOC
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BU of 8ioc by Molmil
Cryo-EM structure of the gamma-MSH-bound human melanocortin receptor 3 (MC3R)-Gs complex
Descriptor: CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,HiBiT, ...
Authors:Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S.
Deposit date:2023-03-10
Release date:2023-09-20
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors.
Cell Discov, 9, 2023
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
4EH2
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BU of 4eh2 by Molmil
Human p38 MAP kinase in complex with NP-F1 and RL87
Descriptor: 3-phenylquinazolin-4(3H)-one, Mitogen-activated protein kinase 14, 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 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH9
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BU of 4eh9 by Molmil
Human p38 MAP kinase in complex with NP-F11 and RL87
Descriptor: (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, 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 (2.1 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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
8U81
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BU of 8u81 by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: State A From Composite RELION Multi-body Refinement Map
Descriptor: BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U7Z
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BU of 8u7z by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: Local Refinment of KCTD5(CTD)/Gbeta1gamma2
Descriptor: BTB/POZ domain-containing protein KCTD5, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U82
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BU of 8u82 by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: State B From Composite RELION Multi-body Refinement Map
Descriptor: BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U80
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BU of 8u80 by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: Local Refinment of KCTD5(BTB)/Cullin3(NTD)
Descriptor: BTB/POZ domain-containing protein KCTD5, Cullin-3
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
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
1SR7
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BU of 1sr7 by Molmil
Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate
Descriptor: GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ...
Authors:Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P.
Deposit date:2004-03-22
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
2PEV
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BU of 2pev by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594.
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
Authors:Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
Deposit date:2007-04-03
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
5B1R
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BU of 5b1r by Molmil
Crystal structure of mouse CD72a CTLD
Descriptor: ACETATE ION, B-cell differentiation antigen CD72, GLYCEROL
Authors:Shinagawa, K, Numoto, N, Tsubata, T, Ito, N.
Deposit date:2015-12-15
Release date:2016-10-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CD72 negatively regulates B lymphocyte responses to the lupus-related endogenous toll-like receptor 7 ligand Sm/RNP
J.Exp.Med., 213, 2016
4Z7G
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BU of 4z7g by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo
Descriptor: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Bayliss, R, Joshi, A.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
8KE7
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BU of 8ke7 by Molmil
Crystal structure of DNA binding and cleavage core of human topoisomerase 2-beta in a DNA binding-competent conformation
Descriptor: ACETATE ION, DNA topoisomerase 2-beta
Authors:Chan, N.L, Liu, K.T, Chen, S.F.
Deposit date:2023-08-11
Release date:2024-07-24
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the assembly of type IIA topoisomerase DNA cleavage-religation center.
Nucleic Acids Res., 52, 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

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