5FNL
| Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5IQ5
| NMR solution structure of Mayaro virus macro domain | Descriptor: | Macro domain | Authors: | Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A. | Deposit date: | 2016-03-10 | Release date: | 2017-12-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain. J.Mol.Biol., 431, 2019
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8G50
| E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | Deposit date: | 2023-02-10 | Release date: | 2024-01-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism. Proc.Natl.Acad.Sci.USA, 121, 2024
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4RWO
| Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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6O2C
| Crystal structure of 4493 Fab in complex with circumsporozoite protein NANP3 and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.017 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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7ZTU
| Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, D162L mutant | Descriptor: | Carotenoid-binding protein | Authors: | Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O. | Deposit date: | 2022-05-11 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter. Int.J.Biol.Macromol., 223, 2022
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3NM1
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, MAGNESIUM ION, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.211 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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6NMT
| Non-Blocking Fab 3 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | Descriptor: | Fab 3 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 3 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | Authors: | Wibowo, A.S, Carter, J.J, Sim, J. | Deposit date: | 2019-01-11 | Release date: | 2019-08-07 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha. Mabs, 11, 2019
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7OG6
| Structure of Alternanthera Mosaic VLP by cryoEM | Descriptor: | Coat protein, RNA (5'-R(P*UP*UP*UP*UP*U)-3') | Authors: | Byrne, M.J, Ranson, N.A, Lomonossoff, G.P, Thuenemann, E.C. | Deposit date: | 2021-05-06 | Release date: | 2021-06-23 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A Replicating Viral Vector Greatly Enhances Accumulation of Helical Virus-Like Particles in Plants. Viruses, 13, 2021
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7ZTQ
| Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform | Descriptor: | Carotenoid-binding protein, GLYCEROL | Authors: | Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O. | Deposit date: | 2022-05-11 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter. Int.J.Biol.Macromol., 223, 2022
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6Y2A
| Crystal structure of HLA-B2705 complexed with the nona-peptide mQ | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A. | Deposit date: | 2020-02-15 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A CENTRAL PEPTIDE RESIDUE CAN CONTROL
MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION to be published
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5KVC
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5KUL
| Human cyclophilin A at 100K, Data set 1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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6Y3C
| Human COX-1 Crystal Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | Authors: | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | Deposit date: | 2020-02-18 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.361 Å) | Cite: | Three-dimensional structure of human cyclooxygenase (hCOX)-1. Sci Rep, 11, 2021
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5KUU
| Human cyclophilin A at 100K, Data set 7 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KV2
| Human cyclophilin A at 278K, Data set 4 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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1C9U
| CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ | Descriptor: | CALCIUM ION, GLYCEROL, PYRROLOQUINOLINE QUINONE, ... | Authors: | Oubrie, A, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1999-08-03 | Release date: | 2000-02-04 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and mechanism of soluble quinoprotein glucose dehydrogenase. EMBO J., 18, 1999
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6NSB
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7O88
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6NSI
| Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis | Descriptor: | CALCIUM ION, FE (III) ION, Manganese-binding protein, ... | Authors: | Luo, Z, Campbell, R, Begg, S.L, Kobe, B, McDevitt, C.A. | Deposit date: | 2019-01-24 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.00006342 Å) | Cite: | Structure and Metal Binding Properties of Chlamydia trachomatis YtgA. J.Bacteriol., 202, 2019
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8PJB
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1C5V
| STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | CALCIUM ION, MAGNESIUM ION, PROTEIN (TRYPSIN) | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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6B7W
| Structure of hen egg-white lysozyme pre-treated with high pressure (600 MPa) under isobaric condition | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T. | Deposit date: | 2017-10-05 | Release date: | 2018-07-25 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme Innov Food Sci Emerg Technol, 47, 2018
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6Y4C
| Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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4S0Z
| Crystal structure of M26V human DJ-1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1 | Authors: | Milkovic, N.M, Wilson, M.A. | Deposit date: | 2015-01-07 | Release date: | 2015-08-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature. Protein Sci., 24, 2015
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