7A1U
 
 | | Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid. | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, FUSIDIC ACID, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-08-14 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8TUX
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8TUW
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8TUH
 | | HLA B7:02 with RPIIRPATL | | Descriptor: | 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.200106 Å) | | Cite: | Prominent CD8+ T cell responses are directed at novel conserved influenza B virus epitopes across anatomical sites and age groups
To Be Published
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8TUM
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9PAP
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8TUB
 | | HLA B7:02 with HPNGYKSLSTL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Prominent CD8+ T cell responses are directed at novel conserved influenza B virus epitopes across anatomical sites and age groups
To Be Published
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8SVJ
 | | Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH | | Authors: | Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8TFN
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1B2L
 | | ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ALCOHOL DEHYDROGENASE, CALCIUM ION, ... | | Authors: | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | | Deposit date: | 1998-11-26 | | Release date: | 1999-11-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
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1B5Y
 | | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANTS | | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | | Deposit date: | 1999-01-11 | | Release date: | 1999-01-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants.
Biochemistry, 38, 1999
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1AOX
 | | I DOMAIN FROM INTEGRIN ALPHA2-BETA1 | | Descriptor: | INTEGRIN ALPHA 2 BETA, MAGNESIUM ION | | Authors: | Emsley, J, King, S.L, Bergelson, J.M, Liddington, R.C. | | Deposit date: | 1997-07-13 | | Release date: | 1998-11-25 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the I domain from integrin alpha2beta1.
J.Biol.Chem., 272, 1997
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1B99
 | | 3'-FLUORO-URIDINE DIPHOSPHATE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE | | Descriptor: | 2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE, PROTEIN (NUCLEOSIDE DIPHOSPHATE KINASE), PYROPHOSPHATE 2- | | Authors: | Janin, J, Xu, Y. | | Deposit date: | 1999-02-22 | | Release date: | 1999-06-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Catalytic mechanism of nucleoside diphosphate kinase investigated using nucleotide analogues, viscosity effects, and X-ray crystallography.
Biochemistry, 38, 1999
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1BDK
 | | AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS | | Descriptor: | bradykinin antagonist B-9340 | | Authors: | Sejbal, J, Kotovych, G, Cann, J.R, Stewart, J.M, Gera, L. | | Deposit date: | 1995-07-28 | | Release date: | 1995-12-07 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | An NMR, CD, molecular dynamics, and fluorometric study of the conformation of the bradykinin antagonist B-9340 in water and in aqueous micellar solutions.
J.Med.Chem., 39, 1996
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1AW9
 | | STRUCTURE OF GLUTATHIONE S-TRANSFERASE III IN APO FORM | | Descriptor: | CADMIUM ION, GLUTATHIONE S-TRANSFERASE III | | Authors: | Neuefeind, T, Huber, R, Reinemer, P, Knaeblein, J. | | Deposit date: | 1997-10-13 | | Release date: | 1998-10-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cloning, sequencing, crystallization and X-ray structure of glutathione S-transferase-III from Zea mays var. mutin: a leading enzyme in detoxification of maize herbicides.
J.Mol.Biol., 274, 1997
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1B5U
 | | CONTRIBUTION OF HYDROGEN BONDS TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME: CALORIMETRY AND X-RAY ANALYSIS OF SIX SER->ALA MUTANT | | Descriptor: | PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Takano, K, Yamagata, Y, Kubota, M, Funahashi, J, Fujii, S, Yutani, K. | | Deposit date: | 1999-01-11 | | Release date: | 1999-01-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of hydrogen bonds to the conformational stability of human lysozyme: calorimetry and X-ray analysis of six Ser --> Ala mutants.
Biochemistry, 38, 1999
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1B3B
 | | THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT N97D, G376K | | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | | Authors: | Knapp, S, Lebbink, J.H.G, Van Der Oost, J, Devos, W.M, Rice, D, Ladenstein, R. | | Deposit date: | 1998-12-07 | | Release date: | 1999-12-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. I. Introduction of a six-residue ion-pair network in the hinge region.
J.Mol.Biol., 280, 1998
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1BEP
 | | EFFECT OF UNNATURAL HEME SUBSTITUTION ON KINETICS OF ELECTRON TRANSFER IN CYTOCHROME C PEROXIDASE | | Descriptor: | YEAST CYTOCHROME C PEROXIDASE, [7-ETHENYL-12-FORMYL-3,8,13,17-TERTRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2)-N21,N22,N23,N24]IRON | | Authors: | Miller, M, Kraut, J. | | Deposit date: | 1998-05-16 | | Release date: | 1998-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Effect of Unnatural Heme Substitution on Kinetics of Electron Transfer in Cytochrome C Peroxidase
To be Published
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1B4S
 | | STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE H122G MUTANT | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE, ... | | Authors: | Meyer, P, Janin, J. | | Deposit date: | 1998-12-28 | | Release date: | 1999-06-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nucleophilic activation by positioning in phosphoryl transfer catalyzed by nucleoside diphosphate kinase.
Biochemistry, 38, 1999
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1AUN
 | | PATHOGENESIS-RELATED PROTEIN 5D FROM NICOTIANA TABACUM | | Descriptor: | PR-5D | | Authors: | Koiwa, H, Kato, H, Nakatsu, T, Oda, J, Yamada, Y, Sato, F. | | Deposit date: | 1997-08-29 | | Release date: | 1998-03-04 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of tobacco PR-5d protein at 1.8 A resolution reveals a conserved acidic cleft structure in antifungal thaumatin-like proteins.
J.Mol.Biol., 286, 1999
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1BJG
 | | D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING | | Descriptor: | 5,10-METHYLENE-6-HYDROFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-06-25 | | Release date: | 1998-11-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
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1BMN
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1BO7
 | | THYMIDYLATE SYNTHASE R179T MUTANT | | Descriptor: | PROTEIN (THYMIDYLATE SYNTHASE), URIDINE-5'-MONOPHOSPHATE | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-10 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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1BP0
 | | THYMIDYLATE SYNTHASE R23I MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE) | | Authors: | Morse, R, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1998-08-11 | | Release date: | 2000-01-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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1BJX
 | | HUMAN PROTEIN DISULFIDE ISOMERASE, NMR, 24 STRUCTURES | | Descriptor: | PROTEIN DISULFIDE ISOMERASE | | Authors: | Kemmink, J, Dijkstra, K, Mariani, M, Scheek, R.M, Penka, E, Nilges, M, Darby, N.J. | | Deposit date: | 1998-06-29 | | Release date: | 1999-01-13 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The structure in solution of the b domain of protein disulfide isomerase.
J.Biomol.NMR, 13, 1999
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