2OCS
| The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) | Descriptor: | 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2, THIOCYANATE ION | Authors: | Papagrigoriou, E, Phillips, C, Gileadi, C, Elkins, J, Salah, E, Berridge, G, Savitsky, P, Gorrec, F, Umeano, C, Ugochukwu, E, Gileadi, O, Burgess, N, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-21 | Release date: | 2007-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the first PDZ domain of human NHERF-2 (SLC9A3R2) To be Published
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9FP6
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2V0B
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2V3N
| Crystallographic analysis of upper axial ligand substitutions in cobalamin bound to transcobalamin | Descriptor: | CHLORIDE ION, COBALAMIN, CYANIDE ION, ... | Authors: | Wuerges, J, Geremia, S, Randaccio, L. | Deposit date: | 2007-06-19 | Release date: | 2007-10-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Vitamin B12 Transport Proteins: Crystallographic Analysis of Beta-Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin. Iubmb Life, 59, 2007
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2VCQ
| Complex structure of prostaglandin D2 synthase at 1.95A. | Descriptor: | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE | Authors: | Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. | Deposit date: | 2007-09-26 | Release date: | 2008-04-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
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7KBG
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2V3V
| A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-22 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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3V4V
| crystal structure of a4b7 headpiece complexed with Fab ACT-1 and RO0505376 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yu, Y, Zhu, J, Springer, T.A. | Deposit date: | 2011-12-15 | Release date: | 2012-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion J.Cell Biol., 196, 2012
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2VLG
| KinA PAS-A domain, homodimer | Descriptor: | ACETATE ION, CHLORIDE ION, SPORULATION KINASE A | Authors: | Lee, J, Tomchick, D.R, Brautigam, C.A, Machius, M, Kort, R, Hellingwerf, K.J, Gardner, K.H. | Deposit date: | 2008-01-14 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Changes at the Kina Pas-A Dimerization Interface Influence Histidine Kinase Function. Biochemistry, 47, 2008
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8RRR
| Alpha-synuclein amyloid fibril | Descriptor: | Alpha-synuclein | Authors: | Saibil, H.R, Monistrol, J. | Deposit date: | 2024-01-23 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Stepwise recruitment of Hsc70 by DNAJB1 produces ordered arrays primed for bursts of amyloid fibre disassembly Biorxiv, 2024
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8RQM
| Alpha-synuclein amyloid fibrils | Descriptor: | Alpha-synuclein | Authors: | Saibil, H.R, Monistrol, J. | Deposit date: | 2024-01-18 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Stepwise recruitment of Hsc70 by DNAJB1 produces ordered arrays primed for bursts of amyloid fibre disassembly Biorxiv, 2024
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2V7A
| Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | Descriptor: | MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | Authors: | Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J. | Deposit date: | 2007-07-27 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358. Cancer Res., 67, 2007
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1PSR
| HUMAN PSORIASIN (S100A7) | Descriptor: | HOLMIUM ATOM, PSORIASIN | Authors: | Brodersen, D.E, Etzerodt, M, Madsen, P, Celis, J, Thoegersen, H.C, Nyborg, J, Kjeldgaard, M. | Deposit date: | 1997-11-27 | Release date: | 1999-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | EF-hands at atomic resolution: the structure of human psoriasin (S100A7) solved by MAD phasing. Structure, 6, 1998
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9B2H
| HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group | Descriptor: | 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2024-03-15 | Release date: | 2024-07-24 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies. Org.Biomol.Chem., 22, 2024
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6FWI
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) | Descriptor: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2018-03-06 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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2NY1
| HIV-1 gp120 Envelope Glycoprotein (I109C, T257S, S334A, S375W, Q428C) Complexed with CD4 and Antibody 17b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
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7EB2
| Cryo-EM structure of human GABA(B) receptor-Gi protein complex | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | Authors: | Shen, C, Mao, C, Xu, C, Jin, N, Zhang, H, Shen, D, Shen, Q, Wang, X, Hou, T, Rondard, P, Chen, Z, Pin, J, Zhang, Y, Liu, J. | Deposit date: | 2021-03-08 | Release date: | 2021-05-05 | Last modified: | 2024-10-23 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of GABA B receptor-G i protein coupling. Nature, 594, 2021
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3PTB
| THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION | Authors: | Bode, W, Schwager, P, Walter, J. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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8S1W
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3PTN
| ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, TRYPSIN | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | Deposit date: | 1981-10-26 | Release date: | 1982-03-04 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
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5NUN
| Engineered beta-lactoglobulin: variant F105L-L39A-M107F in complex with chlorpromazine (LG-LAF-CLP) | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin | Authors: | Loch, J.I, Bonarek, P, Towrzydlo, M, Lazinskia, I, Szydlowska, J, Lewinski, K. | Deposit date: | 2017-04-30 | Release date: | 2018-04-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
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6GE4
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9AZA
| Crystal structure of LolTv4 | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gao, J, Hai, Y. | Deposit date: | 2024-03-10 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions. J.Am.Chem.Soc., 146, 2024
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2O14
| X-Ray Crystal Structure of Protein YXIM_BACsu from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR595 | Descriptor: | Hypothetical protein yxiM, MANGANESE (II) ION, SULFATE ION | Authors: | Kuzin, A.P, Chen, Y, Seetharaman, J, Chen, C.X, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-28 | Release date: | 2006-12-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray structure of the hypothetical protein YXIM_BACsu from Bacillus subtilis. To be Published
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2O0P
| X-ray Crystal Structure of Protein CC0527 (V27M / L66M double mutant) from Caulobacter crescentus. Northeast Structural Genomics Consortium Target CcR55. | Descriptor: | Hypothetical protein CC0527 | Authors: | Seetharaman, J, Su, M, Wang, D, Fang, Y, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-27 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Hypothetical Protein from Caulobacter Crescentus. TO BE PUBLISHED
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