4Q30
 
 | | Nitrowillardiine bound to the ligand binding domain of GluA2 at pH 3.5 | | Descriptor: | 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, Glutamate receptor 2 CHIMERIC PROTEIN, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2014-04-10 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Thermodynamics and mechanism of the interaction of willardiine partial agonists with a glutamate receptor: implications for drug development.
Biochemistry, 53, 2014
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5M8L
 | | Crystal structure of human tyrosinase related protein 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | | Deposit date: | 2016-10-29 | | Release date: | 2017-07-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4FYX
 | | E. coli Aspartate Transcarbamoylase complexed with dCTP, UTP, and Mg2+ | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ... | | Authors: | Cockrell, G.M, Kantrowitz, E.R. | | Deposit date: | 2012-07-05 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.0889 Å) | | Cite: | Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 51, 2012
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5M8Y
 | | PCE reductive dehalogenase from S. multivorans in complex with 3-chlorophenol | | Descriptor: | 3-CHLOROPHENOL, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | Deposit date: | 2016-10-30 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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8TPI
 | | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | | Descriptor: | N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide, Non-structural protein 7 | | Authors: | Chua, T.K, Song, Y. | | Deposit date: | 2023-08-04 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
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5BQQ
 | | Human insulin with intra-chain chemical crosslink between modified B27 and B30 | | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | Deposit date: | 2015-05-29 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
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5BQZ
 | | Crystal structure of hemagglutinin of A/Chicken/Guangdong/S1311/2010 (H6N6) in complex with human-like receptor LSTc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ HA1 CHAIN, ... | | Authors: | Ni, F, Kondrashkina, E, Wang, Q. | | Deposit date: | 2015-05-29 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural and Functional Studies of Influenza Virus A/H6 Hemagglutinin.
Plos One, 10, 2015
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1NNC
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4Q0V
 | | Crystal structure of Acinetobacter sp. DL28 L-ribose isomerase mutant E204Q in complex with L-ribulose | | Descriptor: | COBALT (II) ION, COBALT HEXAMMINE(III), L-Ribose isomerase, ... | | Authors: | Yoshida, H, Yoshihara, A, Teraoka, M, Izumori, K, Kamitori, S. | | Deposit date: | 2014-04-02 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | X-ray structure of a novel L-ribose isomerase acting on a non-natural sugar L-ribose as its ideal substrate.
Febs J., 281, 2014
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8TPD
 | | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | | Descriptor: | 3C-like proteinase nsp5, N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide | | Authors: | Chua, T.K, Song, Y. | | Deposit date: | 2023-08-04 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
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5MFP
 | | Human Sirt6 in complex with activator UBCS58 | | Descriptor: | 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | Steegborn, C, You, W, Kambach, C. | | Deposit date: | 2016-11-18 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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1NOT
 | | THE 1.2 ANGSTROM STRUCTURE OF G1 ALPHA CONOTOXIN | | Descriptor: | GI ALPHA CONOTOXIN | | Authors: | Guddat, L.W, Shan, L, Martin, J.L, Edmundson, A.B, Gray, W.R. | | Deposit date: | 1996-05-02 | | Release date: | 1996-12-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Three-dimensional structure of the alpha-conotoxin GI at 1.2 A resolution
Biochemistry, 35, 1996
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5MC3
 | | Crystal Structure of Glu412Lys mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | GLYCEROL, GLYCINE, HYDROXIDE ION, ... | | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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5MG2
 | | Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1 | | Authors: | Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-11-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
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3W6G
 | | Structure of peroxiredoxin from anaerobic hyperthermophilic archaeon Pyrococcus horikoshii | | Descriptor: | CITRATE ANION, Probable peroxiredoxin | | Authors: | Nakamura, T, Mori, A, Niiyama, M, Matsumura, H, Tokuyama, C, Morita, J, Uegaki, K, Inoue, T. | | Deposit date: | 2013-02-14 | | Release date: | 2013-07-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of peroxiredoxin from the anaerobic hyperthermophilic archaeon Pyrococcus horikoshii
Acta Crystallogr.,Sect.F, 69, 2013
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8TPC
 | | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | | Descriptor: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7 | | Authors: | Chua, T.K, Song, Y. | | Deposit date: | 2023-08-04 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease.
Acs Infect Dis., 10, 2024
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4Q22
 | | Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | Kushwaha, G.S, Madhuprakash, J, Singh, A, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Podile, A.R, Singh, T.P. | | Deposit date: | 2014-04-05 | | Release date: | 2014-04-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution
To be Published
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5MG5
 | | A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG) | | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, Hydroxymethylglutaryl-CoA synthase, ... | | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | | Deposit date: | 2016-11-20 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.44 Å) | | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase.
Chembiochem, 20, 2019
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4Q4O
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-{[2-(piperidin-1-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-04-15 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
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5MHO
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4GJI
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5MJ1
 | | Extracellular domain of human CD83 - rhombohedral crystal form | | Descriptor: | CD83 antigen, DI(HYDROXYETHYL)ETHER | | Authors: | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | | Deposit date: | 2016-11-29 | | Release date: | 2017-03-29 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
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5AM7
 | | FGFR1 mutant with an inhibitor | | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1 | | Authors: | Bunney, T.D, Wan, S, Thiyagarajan, N, Sutto, L, Williams, S.V, Ashford, P, Koss, H, Knowles, M.A, Gervasio, F.L, Coveney, P.V, Katan, M. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.957 Å) | | Cite: | The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
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2ZU6
 | | crystal structure of the eIF4A-PDCD4 complex | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Eukaryotic initiation factor 4A-I, ... | | Authors: | Cho, Y, Chang, J.H, Sohn, S.Y. | | Deposit date: | 2008-10-13 | | Release date: | 2009-02-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the eIF4A-PDCD4 complex
Proc.Natl.Acad.Sci.Usa, 106, 2009
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5AXW
 | | Crystal structure of Staphylococcus aureus Cas9 in complex with sgRNA and target DNA (TTGGGT PAM) | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, DNA (28-MER), ... | | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2015-08-01 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Staphylococcus aureus Cas9.
Cell, 162, 2015
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