3WGU
 
 | | Crystal structure of a Na+-bound Na+,K+-ATPase preceding the E1P state without oligomycin | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kanai, R, Ogawa, H, Vilsen, B, Cornelius, F, Toyoshima, C. | | Deposit date: | 2013-08-09 | | Release date: | 2013-10-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a Na1-bound Na1,K1-ATPase preceding the E1P state
Nature, 502, 2013
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3FZC
 | | OXA-24 beta-lactamase complex with SA3-53 inhibitor | | Descriptor: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | | Authors: | Romero, A, Santillana, E. | | Deposit date: | 2009-01-24 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
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4JBF
 | | Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469. | | Descriptor: | Peptidoglycan glycosyltransferase, TETRAETHYLENE GLYCOL | | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2013-02-19 | | Release date: | 2013-03-20 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469.
To be Published
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3ZC6
 | | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ... | | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | | Deposit date: | 2012-11-16 | | Release date: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Bioorg.Med.Chem.Lett., 23, 2013
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7X5P
 | | Truncated VhChiP (1-19aa) in complex with doxycycline | | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, ... | | Authors: | Sanram, S, Robinson, C.R, Aunkham, A, Suginta, W. | | Deposit date: | 2022-03-05 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure and function of truncated VhChiP
To Be Published
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4LHR
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3DZZ
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1G42
 | | STRUCTURE OF 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE (LINB) FROM SPHINGOMONAS PAUCIMOBILIS COMPLEXED WITH 1,2-DICHLOROPROPANE | | Descriptor: | 1,2-DICHLORO-PROPANE, 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, ACETATE ION, ... | | Authors: | Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J. | | Deposit date: | 2000-10-26 | | Release date: | 2001-10-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition.
Biochemistry, 41, 2002
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2CA0
 | | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-12-15 | | Release date: | 2006-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1)
To be Published
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4N4W
 | | Structure of the human smoothened receptor in complex with SANT-1. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine, Cytochrome b(562),Smoothened homolog, ... | | Authors: | Wang, C, Wu, H, Han, G.W, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-10-08 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
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1C8S
 | | BACTERIORHODOPSIN D96N LATE M STATE INTERMEDIATE | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN ("M" STATE INTERMEDIATE), ... | | Authors: | Luecke, H. | | Deposit date: | 1999-07-29 | | Release date: | 1999-10-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural changes in bacteriorhodopsin during ion transport at 2 angstrom resolution.
Science, 286, 1999
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4N7I
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 | | Descriptor: | BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, CHLORIDE ION, ... | | Authors: | Sandstrom, A, Adams, E.J. | | Deposit date: | 2013-10-15 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4015 Å) | | Cite: | The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V gamma 9V delta 2 T Cells.
Immunity, 40, 2014
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7XKJ
 | | Kras-G12D-GDP-MRTX1133 by FIB-MicroED | | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, KRAS proto-oncogene, ... | | Authors: | Li, X.M. | | Deposit date: | 2022-04-19 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | | Cite: | Kras-G12D-GDP-MRTX1133 by FIB-MicroED
To Be Published
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3DL7
 | | Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | | Deposit date: | 2008-06-26 | | Release date: | 2008-12-02 | | Last modified: | 2021-03-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
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4JM2
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4JFX
 | | Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide | | Descriptor: | Fab heavy chain, Fab light chain, Phosphopeptide, ... | | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | | Deposit date: | 2013-02-28 | | Release date: | 2013-09-25 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
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3WZ6
 | | Endothiapepsin in complex with Gewald reaction-derived inhibitor (5) | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | | Deposit date: | 2014-09-19 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.404 Å) | | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors
Angew.Chem.Int.Ed.Engl., 54, 2015
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4J0H
 | | Tannin acyl hydrolase in complex with gallic acid | | Descriptor: | 3,4,5-trihydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J. | | Deposit date: | 2013-01-30 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
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4JD2
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4DFM
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in ternary complex with 5-(aminopentinyl)-2-dCTP | | Descriptor: | 1,2-ETHANEDIOL, 5'-d(AAAGCGCGCCGTGGTC)-3', 5'-d(GACCACGGCGC ddG)-3', ... | | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2012-01-24 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
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4DQL
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2C6H
 | | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
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3ZQ6
 | | ADP-ALF4 COMPLEX OF M. THERM. TRC40 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Sherrill, J, Mariappan, M, Dominik, P, Hegde, R.S, Keenan, R.J. | | Deposit date: | 2011-06-08 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.107 Å) | | Cite: | A Conserved Archaeal Pathway for Tail-Anchored Membrane Protein Insertion.
Traffic, 12, 2011
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3G2D
 | | Complex of Mth0212 and a 4 bp dsDNA with 3'-overhang | | Descriptor: | 5'-D(*CP*CP*TP*GP*UP*GP*CP*GP*AP*T)-3', 5'-D(*CP*GP*CP*G*CP*AP*GP*GP*C)-3', Exodeoxyribonuclease, ... | | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | | Deposit date: | 2009-01-31 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA
J.Mol.Biol., 399, 2010
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4J6O
 | | Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP | | Descriptor: | CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Wang, L, Smith, P, Shuman, S. | | Deposit date: | 2013-02-11 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
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