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2W1W
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BU of 2w1w by Molmil
Native structure of a family 35 carbohydrate binding module from Clostridium thermocellum
Descriptor: CALCIUM ION, GLYCEROL, LIPOLYTIC ENZYME, ...
Authors:Gloster, T.M, Davies, G.J, Correia, M, Prates, J, Fontes, C, Gilbert, H.J.
Deposit date:2008-10-21
Release date:2009-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
2W3J
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BU of 2w3j by Molmil
Structure of a family 35 carbohydrate binding module from an environmental isolate
Descriptor: CALCIUM ION, CARBOHYDRATE BINDING MODULE
Authors:Montainer, C, Flint, J, Gloster, T.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J.
Deposit date:2008-11-12
Release date:2009-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
7RR0
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BU of 7rr0 by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 222
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ...
Authors:Pymm, P, Glukhova, A, Black, K.A, Tham, W.H.
Deposit date:2021-08-08
Release date:2021-10-06
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
2VQP
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BU of 2vqp by Molmil
Structure of the matrix protein from human Respiratory Syncytial Virus
Descriptor: ACETATE ION, FORMIC ACID, GLYCEROL, ...
Authors:Money, V.A, McPhee, H.K, Sanderson, J.M, Yeo, R.P.
Deposit date:2008-03-18
Release date:2009-02-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Surface Features of a Mononegavirales Matrix Protein Indicate Sites of Membrane Interaction.
Proc.Natl.Acad.Sci.USA, 106, 2009
4YQO
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BU of 4yqo by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Madauss, K.P.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
2VZ0
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BU of 2vz0 by Molmil
Pteridine Reductase 1 (PTR1) from Trypanosoma Brucei in complex with NADP and DDD00066641
Descriptor: 6-(4-methylphenyl)quinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE
Authors:Robinson, D.A, Thompson, S, Sienkiewicz, N, Fairlamb, A.H.
Deposit date:2008-07-29
Release date:2009-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development and Validation of a Cytochrome C Coupled Assay for Pteridine Reductase 1 and Dihydrofolate Reductase.
Anal.Biochem., 396, 2010
2VZQ
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BU of 2vzq by Molmil
C-terminal CBM35 from Amycolatopsis orientalis exo-chitosanase CsxA in complex with digalacturonic acid
Descriptor: 1,2-ETHANEDIOL, 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, ...
Authors:Lammerts van Bueren, A, Boraston, A.B.
Deposit date:2008-08-05
Release date:2009-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
7RDS
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BU of 7rds by Molmil
Structure of human NTHL1
Descriptor: IRON/SULFUR CLUSTER, Isoform 3 of Endonuclease III-like protein 1
Authors:Carroll, B.L, Zahn, K.E, Doublie, S.
Deposit date:2021-07-11
Release date:2021-12-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Caught in motion: human NTHL1 undergoes interdomain rearrangement necessary for catalysis.
Nucleic Acids Res., 49, 2021
4WR8
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BU of 4wr8 by Molmil
Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180)
Descriptor: 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol, Macrophage migration inhibitory factor, SODIUM ION, ...
Authors:Robertson, M.J, Baxter, R.H.G, Jorgensen, W.L.
Deposit date:2014-10-23
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor.
J.Am.Chem.Soc., 137, 2015
7RDT
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BU of 7rdt by Molmil
Structure of human NTHL1 - linker 1 chimera
Descriptor: IRON/SULFUR CLUSTER, Isoform 3 of Endonuclease III-like protein 1
Authors:Carroll, B.L, Doublie, S.
Deposit date:2021-07-11
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Caught in motion: human NTHL1 undergoes interdomain rearrangement necessary for catalysis.
Nucleic Acids Res., 49, 2021
2WYK
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BU of 2wyk by Molmil
SiaP in complex with Neu5Gc
Descriptor: N-glycolyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP, THIOCYANATE ION
Authors:Fischer, M, Hubbard, R.E.
Deposit date:2009-11-16
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Water networks can determine the affinity of ligand binding to proteins.
J.Am.Chem.Soc., 2019
4X1M
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BU of 4x1m by Molmil
Structural basis for mutation-induced destabilization of Profilin 1 in ALS
Descriptor: Profilin-1
Authors:Silvas, T.V, Shandilya, S.M.D, Schiffer, C.A.
Deposit date:2014-11-24
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural basis for mutation-induced destabilization of profilin 1 in ALS.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
3G7M
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BU of 3g7m by Molmil
Structure of the thaumatin-like xylanase inhibitor TLXI
Descriptor: GLYCEROL, SODIUM ION, Xylanase inhibitor TL-XI
Authors:Vandermarliere, E, Courtin, C.M, Lammens, W, Schoepe, J, Strelkov, S.V.
Deposit date:2009-02-10
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of the noncompetitive xylanase inhibitor TLXI, member of the small thaumatin-like protein family.
Proteins, 78, 2010
4X0K
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BU of 4x0k by Molmil
Engineered Fab fragment specific for EYMPME (EE) peptide
Descriptor: Fab fragment heavy chain, Fab fragment light chain
Authors:Johnson, J.L, Lieberman, R.L.
Deposit date:2014-11-21
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and biophysical characterization of an epitope-specific engineered Fab fragment and complexation with membrane proteins: implications for co-crystallization.
Acta Crystallogr.,Sect.D, 71, 2015
7R9C
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BU of 7r9c by Molmil
Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
Authors:Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-06-29
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RPM
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BU of 7rpm by Molmil
Structures of the Intracellular Domain and Transmembrane Domain of the Human alpha7 Nicotinic Acetylcholine Receptors
Descriptor: Neuronal acetylcholine receptor subunit alpha-7
Authors:Bondarenko, V, Chen, Q, Tang, P.
Deposit date:2021-08-03
Release date:2022-01-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of highly flexible intracellular domain of human alpha 7 nicotinic acetylcholine receptor.
Nat Commun, 13, 2022
4WN5
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BU of 4wn5 by Molmil
Crystal structure of the C-terminal Per-Arnt-Sim (PASb) of human HIF-3alpha9 bound to 18:1-1-monoacylglycerol
Descriptor: HEXAETHYLENE GLYCOL, Hypoxia-inducible factor 3-alpha, MONOVACCENIN, ...
Authors:Fala, A.M, Oliveira, J.F, Dias, S.M, Ambrosio, A.L.
Deposit date:2014-10-10
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Unsaturated fatty acids as high-affinity ligands of the C-terminal Per-ARNT-Sim domain from the Hypoxia-inducible factor 3 alpha.
Sci Rep, 5, 2015
4WPE
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BU of 4wpe by Molmil
Crystal Structure of Hof1p F-BAR domain
Descriptor: Cytokinesis protein 2
Authors:Lemmon, M.A, Moravcevic, K.
Deposit date:2014-10-17
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comparison of Saccharomyces cerevisiae F-BAR Domain Structures Reveals a Conserved Inositol Phosphate Binding Site.
Structure, 23, 2015
3GIP
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BU of 3gip by Molmil
Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc, acetate and formate ions.
Descriptor: ACETIC ACID, FORMIC ACID, N-acyl-D-glutamate deacylase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
Deposit date:2009-03-05
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily.
Biochemistry, 48, 2009
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
Descriptor: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
Authors:Whitefield, C, Hong, N.S, Jackson, C.J.
Deposit date:2021-07-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
2WIN
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BU of 2win by Molmil
C3 convertase (C3bBb) stabilized by SCIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, ...
Authors:Wu, J, Janssen, B.J, Gros, P.
Deposit date:2009-05-13
Release date:2009-06-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural and functional implications of the alternative complement pathway C3 convertase stabilized by a staphylococcal inhibitor.
Nat. Immunol., 10, 2009
4X2I
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BU of 4x2i by Molmil
Discovery of benzotriazolo diazepines as orally-active inhibitors of BET bromodomains: Crystal structure of BRD4 with CPI-13
Descriptor: (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, Bromodomain-containing protein 4, FORMIC ACID
Authors:Bellon, S.F, Jayaram, H, Poy, F.
Deposit date:2014-11-26
Release date:2015-11-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains.
Acs Med.Chem.Lett., 7, 2016
7RD0
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BU of 7rd0 by Molmil
Crystal structure of C. difficile penicillin-binding protein 3 in apo form
Descriptor: GLYCEROL, Penicillin-binding protein, ZINC ION
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-08
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
3GD2
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BU of 3gd2 by Molmil
isoxazole ligand bound to farnesoid X receptor (FXR)
Descriptor: 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, activator peptide
Authors:Madauss, K.P, Williams, S.P, Deaton, D.N, Wisely, G.B, Mcfadyen, R.B.
Deposit date:2009-02-23
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.
Bioorg.Med.Chem.Lett., 19, 2009
7RCW
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BU of 7rcw by Molmil
Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-08
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022

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