4Z1M
 
 | | Bovine F1-ATPase inhibited by three copies of the inhibitor protein IF1 crystallised in the presence of thiophosphate. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... | | Authors: | Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2015-03-27 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | How release of phosphate from mammalian F1-ATPase generates a rotary substep.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5DR1
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6FV5
 | | QTRT2, the non-catalytic subunit of murine tRNA-Guanine Transglycosylase | | Descriptor: | DI(HYDROXYETHYL)ETHER, MALONATE ION, Queuine tRNA-ribosyltransferase accessory subunit 2, ... | | Authors: | Behrens, C, Heine, A, Reuter, K. | | Deposit date: | 2018-03-01 | | Release date: | 2018-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.179 Å) | | Cite: | Homodimer Architecture of QTRT2, the Noncatalytic Subunit of the Eukaryotic tRNA-Guanine Transglycosylase.
Biochemistry, 57, 2018
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5FDL
 | | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | | Descriptor: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | | Authors: | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | | Deposit date: | 2015-12-16 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
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5DR0
 | | Endothiapepsin in complex with fragment 203 | | Descriptor: | 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-09-15 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4ICC
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-10 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
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5DQ4
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1AE4
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6FW2
 | | Crystal Structure of human mARC1 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MOLYBDATE ION, Mitochondrial amidoxime-reducing component 1,Endolysin,Mitochondrial amidoxime-reducing component 1, ... | | Authors: | Kubitza, C, Scheidig, A. | | Deposit date: | 2018-03-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of human mARC1 reveals its exceptional position among eukaryotic molybdenum enzymes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5DQ2
 | | Endothiapepsin in complex with fragment 48 | | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.514 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DR4
 | | Endothiapepsin in complex with fragment 231 | | Descriptor: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-09-15 | | Release date: | 2016-09-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DQ1
 | | Endothiapepsin in complex with fragment 34 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DR8
 | | Endothiapepsin in complex with fragment 330 | | Descriptor: | 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ... | | Authors: | Heine, A, Knoerlein, A, Schiebel, J, Klebe, G. | | Deposit date: | 2015-09-15 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DR3
 | | Endothiapepsin in complex with fragment 333 | | Descriptor: | 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-09-15 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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3AAQ
 | | Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with the inhibitor ARL 67156 | | Descriptor: | 5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-N,N-diethyladenosine, Ectonucleoside triphosphate diphosphohydrolase I | | Authors: | Vivian, J.P, Beddoe, T, Rossjohn, J. | | Deposit date: | 2009-11-24 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases
Structure, 18, 2010
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8YRP
 | | SARS-CoV-2 Delta Spike in complex with JM-1A | | Descriptor: | JM-1A Heavy Chain, JM-1A Light Chain, Spike glycoprotein | | Authors: | Nguyen, V.H.T, Chen, X. | | Deposit date: | 2024-03-21 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
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3AAR
 | | Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with AMPPNP | | Descriptor: | Ectonucleoside triphosphate diphosphohydrolase I, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Ge, H, Vivian, J.P, Beddoe, T, Rossjohn, J. | | Deposit date: | 2009-11-24 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of a Legionella pneumophila Ecto -Triphosphate Diphosphohydrolase, A Structural and Functional Homolog of the Eukaryotic NTPDases
Structure, 18, 2010
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8YRO
 | | SARS-CoV-2 Delta Spike in complex with JL-8C | | Descriptor: | JL-8C Heavy Chain, JL-8C Light Chain, Spike glycoprotein | | Authors: | Nguyen, V.H.T, Chen, X. | | Deposit date: | 2024-03-21 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
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1Y0Y
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8YZ5
 | | SARS-CoV-2 Delta Spike in complex with Fab of JE-5C | | Descriptor: | Fab heavy chain of JE-5C, Fab light chain of JE-5C, Spike glycoprotein | | Authors: | Chen, X, Wu, Y.-M. | | Deposit date: | 2024-04-06 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
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8YZ6
 | | SARS-CoV-2 Spike (BA.1) in complex with Fab of JH-8B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain of JH-8B, ... | | Authors: | Chen, X, Wu, Y.-M. | | Deposit date: | 2024-04-06 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
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1Y6W
 | | Trapped intermediate of calmodulin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin, ... | | Authors: | Grabarek, Z. | | Deposit date: | 2004-12-07 | | Release date: | 2005-03-01 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a Trapped Intermediate of Calmodulin: Calcium Regulation of EF-hand Proteins from a New Perspective.
J.Mol.Biol., 346, 2005
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3AAP
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1KNF
 | | Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 3-methyl Catechol under Anaerobic Condition | | Descriptor: | 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, 3-METHYLCATECHOL, FE (II) ION, ... | | Authors: | Han, S, Bolin, J.T. | | Deposit date: | 2001-12-18 | | Release date: | 2002-03-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for the stabilization and inhibition of 2, 3-dihydroxybiphenyl 1,2-dioxygenase by t-butanol.
J.Biol.Chem., 273, 1998
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1Y0R
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