1QYW
 
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3D84
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5YLV
 | | Crystal structure of the gastric proton pump complexed with SCH28080 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Abe, K, Irie, K, Nakanishi, H, Fujiyoshi, Y. | | Deposit date: | 2017-10-19 | | Release date: | 2018-04-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.79977775 Å) | | Cite: | Crystal structures of the gastric proton pump
Nature, 556, 2018
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5U3M
 | | Crystal Structure of DH511.11P Fab in Complex with HIV-1 gp41 MPER Peptide | | Descriptor: | DH511.11P Fab Heavy Chain, DH511.11P Fab Light Chain, gp41 MPER peptide | | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | | Deposit date: | 2016-12-02 | | Release date: | 2017-02-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.418 Å) | | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
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3CUS
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5QC5
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
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3W7Q
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127 | | Descriptor: | 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-02 | | Release date: | 2014-03-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127
To be Published
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4FOK
 | | 1.8 A Crystal structure of the FimX EAL domain in complex with c-diGMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FimX, GLYCEROL | | Authors: | Farah, C.S, Guzzo, C.R. | | Deposit date: | 2012-06-20 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the PilZ-FimXEAL-c-di-GMP Complex Responsible for the Regulation of Bacterial Type IV Pilus Biogenesis.
J.Mol.Biol., 425, 2013
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1QO2
 | | Crystal structure of N-((5'-phosphoribosyl)-formimino)-5-aminoimidazol-4-carboxamid ribonucleotid isomerase (EC 3.1.3.15, HisA) | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase | | Authors: | Wilmanns, M, Lang, D, Thoma, R, Sterner, R. | | Deposit date: | 1999-11-01 | | Release date: | 2000-07-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Evidence for Evolution of the Beta/Alpha-Barrel Scaffold by Repeated Gene Duplication and Fusion
Science, 289, 2000
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7JUZ
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1XME
 | | Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus | | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide I, Cytochrome c oxidase polypeptide II, ... | | Authors: | Hunsicker-Wang, L.M, Pacoma, R.L, Chen, Y, Fee, J.A, Stout, C.D. | | Deposit date: | 2004-10-01 | | Release date: | 2005-03-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A novel cryoprotection scheme for enhancing the diffraction of crystals of recombinant cytochrome ba3 oxidase from Thermus thermophilus.
Acta Crystallogr.,Sect.D, 61, 2005
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1SV2
 | | Crystal Structure of Peptide Deformylase from Leptospira Interrogans (LiPDF) at pH7.5 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FORMIC ACID, Peptide deformylase, ... | | Authors: | Zhou, Z, Song, X, Li, Y, Gong, W. | | Deposit date: | 2004-03-27 | | Release date: | 2005-08-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift
J.Biol.Chem., 280, 2005
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3UO6
 | | Aurora A in complex with YL5-083 | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UP2
 | | Aurora A in complex with RPM1686 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-17 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3001 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UOD
 | | Aurora A in complex with RPM1693 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ... | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3UOF
 | | Mycobacterium tuberculosis bacterioferritin, BfrA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterioferritin, FE (III) ION, ... | | Authors: | McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-11-16 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published
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5SVP
 | | Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state | | Descriptor: | 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-07 | | Release date: | 2016-09-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.298 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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4H4I
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3AN1
 | | Crystal structure of rat D428A mutant, urate bound form | | Descriptor: | BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Okamoto, K, Kawaguchi, Y, Eger, B.T, Pai, E.F, Nishino, T. | | Deposit date: | 2010-08-27 | | Release date: | 2010-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structures of Urate Bound Form of Xanthine Oxidoreductase: Substrate Orientation and Structure of the Key Reaction Intermediate
J.Am.Chem.Soc., 132, 2010
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3EH5
 | | Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A. | | Deposit date: | 2008-09-11 | | Release date: | 2009-04-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
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1QMV
 | | thioredoxin peroxidase B from red blood cells | | Descriptor: | PEROXIREDOXIN-2 | | Authors: | Isupov, M.N, Littlechild, J.A, Lebedev, A.A, Errington, N, Vagin, A.A, Schroder, E. | | Deposit date: | 1999-10-07 | | Release date: | 2000-07-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Decameric 2-Cys Peroxiredoxin from Human Erythrocytes at 1.7 A Resolution.
Structure, 8, 2000
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2CKO
 | | Crystal structure of Human Choline Kinase alpha 2 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHOLINE KINASE ALPHA | | Authors: | Malito, E, Lavie, A. | | Deposit date: | 2006-04-20 | | Release date: | 2006-10-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Elucidation of Human Choline Kinase Crystal Structures in Complex with the Products Adp or Phosphocholine.
J.Mol.Biol., 364, 2006
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9F5X
 | | Structure of the Chlamydomonas reinhardtii respiratory supercomplex I1 III2 IV2 | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | | Authors: | Waltz, F, Righetto, R, Kotecha, A, Engel, B.D. | | Deposit date: | 2024-04-30 | | Release date: | 2025-03-12 | | Last modified: | 2025-04-02 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | In-cell architecture of the mitochondrial respiratory chain.
Science, 387, 2025
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4A5W
 | | Crystal structure of C5b6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C5, ... | | Authors: | Hadders, M.A, Bubeck, D, Forneris, F, Pangburn, M, Llorca, O, Lea, S.M, Gros, P. | | Deposit date: | 2011-10-28 | | Release date: | 2012-03-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Assembly and Regulation of the Membrane Attack Complex Based on Structures of C5B6 and Sc5B9.
Cell Rep., 1, 2012
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3UWK
 | | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | | Descriptor: | 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase | | Authors: | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | | Deposit date: | 2011-12-02 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
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