2J6U
| Ternary complex of Sulfolobus solfataricus Dpo4 DNA polymerase, O6- methylguanine modified DNA, and dGTP. | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*T)-3', 5'-D(*TP*CP*AP*C G32P*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Eoff, R.L, Irimia, A, Guengerich, F.P, Egli, M. | Deposit date: | 2006-10-04 | Release date: | 2006-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Sulfolobus Solfataricus DNA Polymerase Dpo4 is Partially Inhibited by "Wobble" Pairing between O6- Methylguanine and Cytosine, But Accurate Bypass is Preferred. J.Biol.Chem., 282, 2007
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6G69
| Crystal structure of a parallel seven-helix coiled coil CC-Type2-IL-Sg-L17E | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CC-Type2-IL-Sg-L17E | Authors: | Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-04-01 | Release date: | 2018-10-17 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nat Commun, 9, 2018
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6GA2
| Bacteriorhodopsin, dark state, cell 2 | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6GA9
| BACTERIORHODOPSIN, 390 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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6G6E
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3DHE
| ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE | Authors: | Han, Q, Campbell, R.L, Gangloff, A, Lin, S.X. | Deposit date: | 1998-03-25 | Release date: | 1999-09-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain. J.Biol.Chem., 275, 2000
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2J6T
| Ternary complex of Sulfolobus solfataricus Dpo4 DNA polymerase, O6- methylguanine modified DNA, and dATP. | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*C)-3', 5'-D(*TP*CP*AP*TP*XP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Irimia, A, Eoff, R.L, Guengerich, F.P, Egli, M. | Deposit date: | 2006-10-04 | Release date: | 2006-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Sulfolobus Solfataricus DNA Polymerase Dpo4 is Partially Inhibited by "Wobble" Pairing between O6- Methylguanine and Cytosine, But Accurate Bypass is Preferred. J.Biol.Chem., 282, 2007
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6GCG
| Copper nitrite reductase from Achromobacter cycloclastes: large polymorph dataset 15 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Ebrahim, A, Appleby, M.V, Axford, D, Beale, J, Moreno-Chicano, T, Sherrell, D.A, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2018-04-17 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.80015242 Å) | Cite: | Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography. Acta Crystallogr D Struct Biol, 75, 2019
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6GF0
| Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip | Descriptor: | Lysozyme C | Authors: | Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I. | Deposit date: | 2018-04-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
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3ELQ
| Crystal structure of a bacterial arylsulfate sulfotransferase | Descriptor: | Arylsulfate sulfotransferase, CHLORIDE ION, SULFATE ION | Authors: | Malojcic, G, Owen, R.L, Grimshaw, J.P, Glockshuber, R. | Deposit date: | 2008-09-23 | Release date: | 2008-11-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural and biochemical basis for PAPS-independent sulfuryl transfer by aryl sulfotransferase from uropathogenic Escherichia coli. Proc.Natl.Acad.Sci.USA, 105, 2008
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3EFR
| Biotin protein ligase R40G mutant from Aquifex aeolicus in complex with biotin | Descriptor: | BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION | Authors: | Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J. | Deposit date: | 2008-09-10 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity. J.Mol.Biol., 387, 2009
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3E2D
| The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase | Descriptor: | 1,2-ETHANEDIOL, Alkaline phosphatase, MAGNESIUM ION, ... | Authors: | Helland, R, Larsen, R.L, Asgeirsson, B. | Deposit date: | 2008-08-05 | Release date: | 2009-06-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase. Biochim.Biophys.Acta, 1794, 2009
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3EMV
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6GFM
| Crystal structure of the Escherichia coli nucleosidase PpnN (pppGpp-form) | Descriptor: | Pyrimidine/purine nucleotide 5'-monophosphate nucleosidase, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) | Authors: | Zhang, Y, Baerentsen, R.L, Gerdes, K, Brodersen, D.E. | Deposit date: | 2018-05-01 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | (p)ppGpp Regulates a Bacterial Nucleosidase by an Allosteric Two-Domain Switch. Mol.Cell, 74, 2019
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8SIV
| Structure of Compound 2 bound to the CHK1 10-point mutant | Descriptor: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2023-04-17 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease. J.Med.Chem., 66, 2023
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8SIX
| Structure of Compound 13 bound to the CHK1 10-point mutant | Descriptor: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2023-04-17 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease. J.Med.Chem., 66, 2023
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3E9J
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8SIW
| Structure of Compound 5 bound to the CHK1 10-point mutant | Descriptor: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2023-04-17 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.877 Å) | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease. J.Med.Chem., 66, 2023
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3EFS
| Biotin protein ligase from Aquifex aeolicus in complex with biotin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, ... | Authors: | Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J. | Deposit date: | 2008-09-10 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity. J.Mol.Biol., 387, 2009
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2JIX
| Crystal structure of ABT-007 FAB fragment with the soluble domain of EPO receptor | Descriptor: | ABT-007 FAB FRAGMENT, ERYTHROPOIETIN RECEPTOR | Authors: | Liu, Z, Stoll, V.S, DeVries, P, Jakob, C.G, Xie, N, Simmer, R.L, Lacy, S.E, Egan, D.A, Harlan, J.E, Lesniewski, R.R, Reilly, E.B. | Deposit date: | 2007-07-02 | Release date: | 2007-07-10 | Last modified: | 2020-03-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A Potent Erythropoietin-Mimicking Human Antibody Interacts Through a Novel Binding Site. Blood, 110, 2007
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2JEJ
| The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*CP*G)-3', 5'-D(*TP*CP*AP*C BZGP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Eoff, R.L, Angel, K.C, Kosekov, I.D, Egli, M, Guengerich, F.P. | Deposit date: | 2007-01-17 | Release date: | 2007-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus Solfataricus DNA Polymerase Dpo4: Steady-State and Pre-Steady-State Kinetics and X-Ray Crystallography of Correct and Incorrect Pairing. J.Biol.Chem., 282, 2007
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6GW9
| Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | CALCIUM ION, Concanavalin V, MAGNESIUM ION | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6GWA
| Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser | Descriptor: | Concanavalin B | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-06-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6GFL
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1AD9
| IGG-FAB FRAGMENT OF ENGINEERED HUMAN MONOCLONAL ANTIBODY CTM01 | Descriptor: | IGG CTM01 FAB (HEAVY CHAIN), IGG CTM01 FAB (LIGHT CHAIN), SULFATE ION | Authors: | Banfield, M.J, Brady, R.L. | Deposit date: | 1997-02-24 | Release date: | 1998-02-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | VL:VH domain rotations in engineered antibodies: crystal structures of the Fab fragments from two murine antitumor antibodies and their engineered human constructs. Proteins, 29, 1997
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