3M8S
 
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus aquaticus in a closed ternary complex with trapped 4'-methylated dTTP | | Descriptor: | 4'-methylthymidine 5'-(tetrahydrogen triphosphate), ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Diederichs, K, Marx, A, Betz, K. | | Deposit date: | 2010-03-19 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of DNA polymerases caught processing size-augmented nucleotide probes.
Angew.Chem.Int.Ed.Engl., 49, 2010
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5OMQ
 | | Ternary complex of 9N DNA polymerase in the replicative state with three metal ions in the active site | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA Primer, DNA Template, ... | | Authors: | Betz, K, Marx, A, Diederichs, K. | | Deposit date: | 2017-08-01 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Crystal structures of ternary complexes of archaeal B-family DNA polymerases.
PLoS ONE, 12, 2017
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5OMV
 | | Ternary complex of 9N DNA polymerase in the replicative state with two metal ions in the active site | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA polymerase, DNA primer, ... | | Authors: | Betz, K, Marx, A, Diederichs, K. | | Deposit date: | 2017-08-01 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Crystal structures of ternary complexes of archaeal B-family DNA polymerases.
PLoS ONE, 12, 2017
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3O2C
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4C8M
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the aritificial base pair d5SICS-dNaM at the postinsertion site (sequence context 2) | | Descriptor: | GLYCEROL, LARGE FRAGMENT OF TAQ DNA POLYMERASE I, MAGNESIUM ION, ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.568 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4C8N
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the aritificial base pair dNaM-d5SICS at the postinsertion site (sequence context 3) | | Descriptor: | LARGE FRAGMENT OF TAQ DNA POLYMERASE I, PRIMER, 5'-D(*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*LHOP)-3', ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4CCH
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with d5SICS as templating nucleotide | | Descriptor: | 5'-D(*AP*AP*CP*LHOP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP* C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOC)-3', DNA POLYMERASE I, ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-11 | | Last modified: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4C8O
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the aritificial base pair dNaM-d5SICS at the postinsertion site (sequence context 2) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*CP*CP*AP*CP*GP*GP*CP*GP*CP*LHOP)-3', 5'-D(*TP*TP*CP*BMNP*GP*CP*GP*CP*CP*GP*TP*GP*GP*CP)-3', ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4C8K
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a partially closed complex with the artificial base pair d5SICS-dNaMTP | | Descriptor: | ((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*AP*C*LHOP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4C8L
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the artificial base pair dNaM-d5SICS at the postinsertion site (sequence context 1) | | Descriptor: | 5'-D(*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*LHOP)-3', 5'-D(*AP*GP*BMNP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP)-3', DNA POLYMERASE I, ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4DLE
 | | Ternary Structure of the large Fragment of Taq DNA Polymerase: 4-Fluoroproline Variant | | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA polymerase I, ... | | Authors: | Holzberger, B, Obeid, S, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2012-02-06 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural insights into the potential of 4-fluoroproline to modulate biophysical properties of protein
Chem Sci, 3, 2012
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4WYV
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5DCK
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7A45
 | | CO-bound sperm whale myoglobin measured by serial femtosecond crystallography | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | | Deposit date: | 2020-08-19 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
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7A42
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7A44
 | | CO-bound sperm whale myoglobin measured by serial synchrotron crystallography | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | | Deposit date: | 2020-08-19 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
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7A43
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5EU7
 | | Crystal structure of HIV-1 integrase catalytic core in complex with Fab | | Descriptor: | FAB Heavy Chain, FAB light chain, Integrase | | Authors: | Galilee, M, Griner, S.L, Stroud, R.M, Alian, A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The Preserved HTH-Docking Cleft of HIV-1 Integrase Is Functionally Critical.
Structure, 24, 2016
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4DPM
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with CoA | | Descriptor: | COENZYME A, MAGNESIUM ION, Malonyl-CoA/succinyl-CoA reductase | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
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4DPK
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota | | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, PHOSPHATE ION | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
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4DPL
 | | Structure of malonyl-coenzyme A reductase from crenarchaeota in complex with NadP | | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UNKNOWN LIGAND | | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | | Deposit date: | 2012-02-13 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase.
J.Biol.Chem., 288, 2013
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7OWF
 | | KlenTaq DNA polymerase in a ternary complex with primer/template and the fluorescent nucleotide analog BFdUTP | | Descriptor: | DNA polymerase I, thermostable, GLYCEROL, ... | | Authors: | Betz, K, Srivatsan, S.G. | | Deposit date: | 2021-06-18 | | Release date: | 2022-06-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Microenvironment-Sensitive Fluorescent Nucleotide Probes from Benzofuran, Benzothiophene, and Selenophene as Substrates for DNA Polymerases.
J.Am.Chem.Soc., 144, 2022
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6RA1
 | | Human Cyclophilin D in complex with norbornane fragment derivative | | Descriptor: | 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, 2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Graedler, U. | | Deposit date: | 2019-04-05 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
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6R9X
 | | Human Cyclophilin D in complex with N-cyclopentyl-N'-pyridin-2-ylmethyl-oxalamide | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide | | Authors: | Graedler, U. | | Deposit date: | 2019-04-04 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
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6R8O
 | | Human Cyclophilin D in complex with 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea | | Descriptor: | 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Graedler, U. | | Deposit date: | 2019-04-02 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
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