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6MVL
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BU of 6mvl by Molmil
Crystal structure of VISTA bound to a pH-selective antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Critton, D.A.
Deposit date:2018-10-26
Release date:2019-10-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:VISTA is an acidic pH-selective ligand for PSGL-1.
Nature, 574, 2019
5BJU
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BU of 5bju by Molmil
X-ray structure of the PglF dehydratase from Campylobacter jejuni in complex with UDP and NAD(H)
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Riegert, A.S, Thoden, J.B, Holden, H.M.
Deposit date:2017-09-12
Release date:2017-11-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily.
Biochemistry, 56, 2017
1X26
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BU of 1x26 by Molmil
Solution structure of the AA-mismatch DNA complexed with naphthyridine-azaquinolone
Descriptor: 5'-D(*CP*AP*TP*TP*CP*AP*GP*TP*TP*AP*G)-3', 5'-D(*CP*TP*AP*AP*CP*AP*GP*AP*AP*TP*G)-3', N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE
Authors:Nakatani, K, Hagihara, S, Goto, Y, Kobori, A, Hagihara, M, Hayashi, G, Kyo, M, Nomura, M, Mishima, M, Kojima, C.
Deposit date:2005-04-20
Release date:2006-04-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Small-molecule ligand induces nucleotide flipping in (CAG)n trinucleotide repeats
Nat.Chem.Biol., 1, 2005
2Y43
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BU of 2y43 by Molmil
Rad18 ubiquitin ligase RING domain structure
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE RAD18, ZINC ION
Authors:Hibbert, R.G, Sixma, T.K.
Deposit date:2011-01-04
Release date:2011-05-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Symmetry and Asymmetry of the Ring-Ring Dimer of Rad18.
J.Mol.Biol., 410, 2011
6JH7
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BU of 6jh7 by Molmil
Crystal structure of AerF from Microcystis aeruginosa
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Short chain dehydrogenase family protein, ...
Authors:Qiu, X.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
1HEX
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BU of 1hex by Molmil
STRUCTURE OF 3-ISOPROPYLMALATE DEHYDROGENASE IN COMPLEX WITH NAD+: LIGAND-INDUCED LOOP-CLOSING AND MECHANISM FOR COFACTOR SPECIFICITY
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hurley, J.H.
Deposit date:1994-09-09
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of 3-isopropylmalate dehydrogenase in complex with NAD+: ligand-induced loop closing and mechanism for cofactor specificity.
Structure, 2, 1994
4XT1
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BU of 4xt1 by Molmil
Structure of a nanobody-bound viral GPCR bound to human chemokine CX3CL1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Fractalkine, ...
Authors:Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C.
Deposit date:2015-01-22
Release date:2015-03-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor.
Science, 347, 2015
6JHB
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BU of 6jhb by Molmil
Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound AerF from Microcystis aeruginosa
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein
Authors:Qiu, X, Wei, Y, Zhu, W.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
1WGM
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BU of 1wgm by Molmil
Solution structure of the U-box in human ubiquitin conjugation factor E4A
Descriptor: Ubiquitin conjugation factor E4A
Authors:Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the U-box in human ubiquitin conjugation factor E4A
To be Published
6JHA
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BU of 6jha by Molmil
Crystal structure of NADPH bound AerF from Microcystis aeruginosa
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein, TRIETHYLENE GLYCOL
Authors:Qiu, X.
Deposit date:2019-02-17
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
2Y93
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BU of 2y93 by Molmil
Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356.
Descriptor: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE
Authors:Dhindwal, S, Patil, D.N, Kumar, P.
Deposit date:2011-02-11
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
1WZ0
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BU of 1wz0 by Molmil
Solution Structure of Human SUMO-2 (SMT3B), a Ubiquitin-like Protein
Descriptor: Ubiquitin-like protein SMT3B
Authors:Zhao, C, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-02-21
Release date:2005-08-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of Human SUMO-2 (SMT3B), a Ubiquitin-like Protein
To be Published
4ZSC
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BU of 4zsc by Molmil
Human Cyclophilin D Complexed with an Inhibitor at room temperature
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
Authors:Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F.
Deposit date:2015-05-13
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
7T9X
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BU of 7t9x by Molmil
Saccharomyces cerevisiae Pex12 RING domain
Descriptor: Peroxisome assembly protein 12, ZINC ION
Authors:Feng, P, Rapoport, T.
Deposit date:2021-12-20
Release date:2022-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A peroxisomal ubiquitin ligase complex forms a retrotranslocation channel.
Nature, 607, 2022
2Y99
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BU of 2y99 by Molmil
Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356 complex with co-enzyme NAD
Descriptor: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dhindwal, S, Patil, D.N, Kumar, P.
Deposit date:2011-02-12
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
6Y98
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BU of 6y98 by Molmil
Crystal Structure of subtype-switched Epithelial Adhesin 9 to 1 A domain (Epa9-CBL2Epa1) from Candida glabrata in complex with beta-lactose
Descriptor: CALCIUM ION, PA14 domain-containing protein, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Hoffmann, D, Diderrich, R, Kock, M, Friederichs, S, Reithofer, V, Essen, L.-O, Moesch, H.-U.
Deposit date:2020-03-06
Release date:2020-07-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
J.Biol.Chem., 295, 2020
3QLW
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BU of 3qlw by Molmil
Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine (UCP120B)
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein CaJ7.0360
Authors:Paulsen, J.L, Bendel, S.D, Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
6Y9J
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BU of 6y9j by Molmil
Crystal Structure of subtype-switched Epithelial Adhesin 1 to 9 A domain (Epa1-CBL2Epa9) from Candida glabrata in complex with beta-lactose
Descriptor: CALCIUM ION, CHLORIDE ION, Epa1p, ...
Authors:Hoffmann, D, Diderrich, R, Kock, M, Friederichs, S, Reithofer, V, Essen, L.-O, Moesch, H.-U.
Deposit date:2020-03-09
Release date:2020-07-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Functional reprogramming ofCandida glabrataepithelial adhesins: the role of conserved and variable structural motifs in ligand binding.
J.Biol.Chem., 295, 2020
1XB7
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BU of 1xb7 by Molmil
X-ray structure of ERRalpha LBD in complex with a PGC-1alpha peptide at 2.5A resolution
Descriptor: IODIDE ION, Peroxisome proliferator activated receptor gamma coactivator 1 alpha, Steroid hormone receptor ERR1
Authors:Kallen, J, Schlaeppi, J.M, Bitsch, F, Filipuzzi, I, Schilb, A, Riou, V, Graham, A, Strauss, A, Geiser, M, Fournier, B.
Deposit date:2004-08-30
Release date:2004-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evidence for Ligand-independent Transcriptional Activation of the Human Estrogen-related Receptor {alpha} (ERR{alpha}): CRYSTAL STRUCTURE OF ERR{alpha} LIGAND BINDING DOMAIN IN COMPLEX WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR COACTIVATOR-1{alpha}
J.Biol.Chem., 279, 2004
6NBP
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BU of 6nbp by Molmil
Crystal Structure of a Sugar N-Formyltransferase from the Plant Pathogen Pantoea ananatis
Descriptor: N-formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PHOSPHATE ION, ...
Authors:Hofmeister, D.L, Thoden, J.B, Holden, H.M.
Deposit date:2018-12-09
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Investigation of a sugar N-formyltransferase from the plant pathogen Pantoea ananatis.
Protein Sci., 28, 2019
8QBN
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BU of 8qbn by Molmil
Structure of the non-canonical CTLH E3 substrate receptor WDR26 bound to YPEL5
Descriptor: Protein yippee-like 5, WD repeat-containing protein 26, ZINC ION
Authors:Chrustowicz, J, Sherpa, D, Schulman, B.A.
Deposit date:2023-08-24
Release date:2024-05-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Non-canonical substrate recognition by the human WDR26-CTLH E3 ligase regulates prodrug metabolism.
Mol.Cell, 84, 2024
8QE8
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BU of 8qe8 by Molmil
Structure of the non-canonical CTLH E3 substrate receptor WDR26 bound to NMNAT1 substrate
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1, WD repeat-containing protein 26, ...
Authors:Chrustowicz, J, Sherpa, D, Schulman, B.A.
Deposit date:2023-08-30
Release date:2024-05-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Non-canonical substrate recognition by the human WDR26-CTLH E3 ligase regulates prodrug metabolism.
Mol.Cell, 84, 2024
6CR2
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BU of 6cr2 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
Descriptor: 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
Deposit date:2018-03-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
1W9S
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BU of 1w9s by Molmil
Structure of a beta-1,3-glucan binding CBM6 from Bacillus halodurans
Descriptor: BH0236 PROTEIN, GLYCEROL, SODIUM ION
Authors:Boraston, A.B, van Bueren, A.L.
Deposit date:2004-10-18
Release date:2004-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Family 6 Carbohydrate Binding Modules Recognize the Non-Reducing End of Beta-1,3-Linked Glucans by Presenting a Unique Ligand Binding Surface
J.Biol.Chem., 280, 2005
3UIW
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BU of 3uiw by Molmil
Zebrafish Grx2 (APO)
Descriptor: GLUTATHIONE, Glutaredoxin 2, SULFATE ION
Authors:McDonough, M.A, Johansson, C.
Deposit date:2011-11-06
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:A New Mode of Iron-sulfur Cluster Coordination in Glutaredoxins is Crucial for Axonogenesis
To be Published

238582

数据于2025-07-09公开中

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