5KDK
 
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7R5Q
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1W0C
 | | Inhibition of Leishmania major pteridine reductase (PTR1) by 2,4,6-triaminoquinazoline; structure of the NADP ternary complex. | | Descriptor: | 2,4,6-TRIAMINOQUINAZOLINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | | Authors: | Mcluskey, K, Gibellini, F, Carvalho, P, Avery, M, Hunter, W. | | Deposit date: | 2004-06-02 | | Release date: | 2004-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Inhibition of Leishmania Major Pteridine Reductase by 2,4,6-Triaminoquinazoline: Structure of the Nadph Ternary Complex
Acta Crystallogr.,Sect.D, 60, 2004
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5KF3
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5KEH
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6Y2K
 | | Crystal structure of beta-galactosidase from the psychrophilic Marinomonas ef1 | | Descriptor: | CHLORIDE ION, GLYCEROL, beta-galactosidase | | Authors: | Mangiagalli, M, Lapi, M, Maione, S, Orlando, M, Brocca, S, Pesce, A, Barbiroli, A, Pucciarelli, S, Camilloni, C, Lotti, M. | | Deposit date: | 2020-02-16 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The co-existence of cold activity and thermal stability in an Antarctic GH42 beta-galactosidase relies on its hexameric quaternary arrangement.
Febs J., 288, 2021
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6AU3
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-09-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
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3G4D
 | | Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis | | Descriptor: | (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL | | Authors: | Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2009-02-03 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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5J5D
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1D2D
 | | Hamster EprS second repeated element. NMR, 5 structures | | Descriptor: | TRNA SYNTHETASE | | Authors: | Cahuzac, B, Berthonneau, E, Birlirakis, N, Guittet, E, Mirande, M. | | Deposit date: | 1999-09-23 | | Release date: | 2000-05-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A recurrent RNA-binding domain is appended to eukaryotic aminoacyl-tRNA synthetases.
EMBO J., 19, 2000
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5A8Z
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | Deposit date: | 2015-07-17 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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6X0O
 | | Single-Particle Cryo-EM Structure of Arabinosyltransferase EmbB from Mycobacterium smegmatis | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB | | Authors: | Tan, Y.Z, Rodrigues, J, Keener, J.E, Zheng, R.B, Brunton, R, Kloss, B, Giacometti, S.I, Rosario, A.L, Zhang, L, Niederweis, M, Clarke, O.B, Lowary, T.L, Marty, M.T, Archer, M, Potter, C.S, Carragher, B, Mancia, F. | | Deposit date: | 2020-05-17 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of arabinosyltransferase EmbB from Mycobacterium smegmatis.
Nat Commun, 11, 2020
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5KKD
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2CBJ
 | | Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc | | Descriptor: | CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | | Authors: | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | | Deposit date: | 2006-01-05 | | Release date: | 2006-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
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5KNC
 | | Crystal structure of the 3 ADP-bound V1 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T. | | Deposit date: | 2016-06-28 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.015 Å) | | Cite: | Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Nat Commun, 7, 2016
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5KQV
 | | Insulin receptor ectodomain construct comprising domains L1,CR,L2, FnIII-1 and alphaCT peptide in complex with bovine insulin and FAB 83-14 (REVISED STRUCTURE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, Insulin receptor,Insulin receptor, ... | | Authors: | Lawrence, M.C, Smith, B.J, Croll, T.I. | | Deposit date: | 2016-07-06 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | How insulin engages its primary binding site on the insulin receptor.
Nature, 493, 2013
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5KVC
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8SBS
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6XVP
 | | Crystal structure of Neprilysin in complex with Sampatrilat. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.
J.Med.Chem., 63, 2020
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5J16
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7QD6
 | | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with strand-transfer like DNA product | | Descriptor: | IR71st non transferred strand, IR71st transferred strand, Transposase for transposon Tn4430 | | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
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5I43
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32). | | Descriptor: | (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-11 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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7QD5
 | | Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 48 bp long transposon end DNA | | Descriptor: | IR48 DNA substrate, non transferred strand, IR48 transferred strand, ... | | Authors: | Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
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5IAS
 | | Caspase 3 V266Y | | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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