1MVN
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![BU of 1mvn by Molmil](/molmil-images/mine/1mvn) | PPC decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol | Descriptor: | 2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE, FLAVIN MONONUCLEOTIDE, PPC decarboxylase AtHAL3a | Authors: | Steinbacher, S, Hernandez-Acosta, P, Bieseler, B, Blaesse, M, Huber, R, Culianez-Macia, F.A, Kupke, T. | Deposit date: | 2002-09-26 | Release date: | 2003-03-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal Structure of the Plant PPC Decarboxylase AtHAL3a Complexed with an Ene-thiol Reaction Intermediate J.Mol.Biol., 327, 2003
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5IWG
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![BU of 5iwg by Molmil](/molmil-images/mine/5iwg) | HDAC2 WITH LIGAND BRD4884 | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Steinbacher, S. | Deposit date: | 2016-03-22 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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5IX0
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![BU of 5ix0 by Molmil](/molmil-images/mine/5ix0) | HDAC2 WITH LIGAND BRD7232 | Descriptor: | (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | Authors: | Steinbacher, S. | Deposit date: | 2016-03-23 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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1JY8
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![BU of 1jy8 by Molmil](/molmil-images/mine/1jy8) | 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F. | Deposit date: | 2001-09-11 | Release date: | 2002-01-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of 2C-methyl-d-erythritol-2,4-cyclodiphosphate synthase involved in mevalonate-independent biosynthesis of isoprenoids. J.Mol.Biol., 316, 2002
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6XDF
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![BU of 6xdf by Molmil](/molmil-images/mine/6xdf) | Crystal structure of IRE1a in complex with G-4100 | Descriptor: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Steinbacher, S, Wang, W. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity. Acs Med.Chem.Lett., 11, 2020
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1U43
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![BU of 1u43 by Molmil](/molmil-images/mine/1u43) | IspF with 4-diphosphocytidyl-2c-methyl-D-erythritol 2-phosphate | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE | Authors: | Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F. | Deposit date: | 2004-07-23 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids J.Mol.Biol., 316, 2002
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1P0K
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![BU of 1p0k by Molmil](/molmil-images/mine/1p0k) | IPP:DMAPP isomerase type II apo structure | Descriptor: | Isopentenyl-diphosphate delta-isomerase, PHOSPHATE ION | Authors: | Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | Deposit date: | 2003-04-10 | Release date: | 2003-06-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis J.Mol.Biol., 329, 2003
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7O4J
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![BU of 7o4j by Molmil](/molmil-images/mine/7o4j) | Yeast RNA polymerase II transcription pre-initiation complex (consensus) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P. | Deposit date: | 2021-04-06 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening. Cell, 184, 2021
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7O4I
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![BU of 7o4i by Molmil](/molmil-images/mine/7o4i) | Yeast RNA polymerase II transcription pre-initiation complex with initial transcription bubble | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P. | Deposit date: | 2021-04-06 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening. Cell, 184, 2021
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1P0N
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![BU of 1p0n by Molmil](/molmil-images/mine/1p0n) | IPP:DMAPP isomerase type II, FMN complex | Descriptor: | FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase | Authors: | Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | Deposit date: | 2003-04-10 | Release date: | 2003-06-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis J.Mol.Biol., 329, 2003
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1PVW
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![BU of 1pvw by Molmil](/molmil-images/mine/1pvw) | 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2003-06-29 | Release date: | 2003-11-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM J.Biol.Chem., 278, 2003
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1U3P
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![BU of 1u3p by Molmil](/molmil-images/mine/1u3p) | IspF native | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION | Authors: | Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F. | Deposit date: | 2004-07-22 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids J.Mol.Biol., 316, 2002
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1PVY
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![BU of 1pvy by Molmil](/molmil-images/mine/1pvy) | 3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii in complex with ribulose 5-phosphate | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ... | Authors: | Steinbacher, S, Schiffmann, S, Richter, G, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2003-06-29 | Release date: | 2003-11-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of 3,4-Dihydroxy-2-butanone 4-Phosphate Synthase from Methanococcus jannaschii in
Complex with Divalent Metal Ions and the Substrate Ribulose 5-Phosphate: IMPLICATIONS FOR THE
CATALYTIC MECHANISM J.Biol.Chem., 278, 2003
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1Z4A
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![BU of 1z4a by Molmil](/molmil-images/mine/1z4a) | |
7O75
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![BU of 7o75 by Molmil](/molmil-images/mine/7o75) | Yeast RNA polymerase II transcription pre-initiation complex with open promoter DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P. | Deposit date: | 2021-04-13 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening. Cell, 184, 2021
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7O72
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![BU of 7o72 by Molmil](/molmil-images/mine/7o72) | Yeast RNA polymerase II transcription pre-initiation complex with closed promoter DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening. Cell, 184, 2021
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7O4L
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![BU of 7o4l by Molmil](/molmil-images/mine/7o4l) | Yeast TFIIH in the expanded state within the pre-initiation complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P. | Deposit date: | 2021-04-06 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening. Cell, 184, 2021
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7O73
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![BU of 7o73 by Molmil](/molmil-images/mine/7o73) | Yeast RNA polymerase II transcription pre-initiation complex with closed distorted promoter DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening. Cell, 184, 2021
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7O4K
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![BU of 7o4k by Molmil](/molmil-images/mine/7o4k) | Yeast TFIIH in the contracted state within the pre-initiation complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Schilbach, S, Aibara, S, Dienemann, C, Grabbe, F, Cramer, P. | Deposit date: | 2021-04-06 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of RNA polymerase II pre-initiation complex at 2.9 angstrom defines initial DNA opening. Cell, 184, 2021
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5VFI
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![BU of 5vfi by Molmil](/molmil-images/mine/5vfi) | Bruton's tyrosine kinase (BTK) with GDC-0853 | Descriptor: | 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ... | Authors: | Steinbacher, S, Eigenbrot, C. | Deposit date: | 2017-04-07 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development. J. Med. Chem., 61, 2018
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1U40
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![BU of 1u40 by Molmil](/molmil-images/mine/1u40) | IspF with 4-diphosphocytidyl-2C-methyl-D-erythritol | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, ZINC ION | Authors: | Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F. | Deposit date: | 2004-07-23 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids J.Mol.Biol., 316, 2002
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1U3L
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![BU of 1u3l by Molmil](/molmil-images/mine/1u3l) | IspF with Mg and CDP | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hechst, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F. | Deposit date: | 2004-07-22 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids J.Mol.Biol., 316, 2002
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1SNN
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![BU of 1snn by Molmil](/molmil-images/mine/1snn) | 3,4-dihydroxy-2-butanone 4-phosphate synthase from Methanococcus jannaschii | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CALCIUM ION, RIBULOSE-5-PHOSPHATE, ... | Authors: | Steinbacher, S, Schiffmann, S, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2004-03-11 | Release date: | 2004-07-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Metal sites in 3,4-dihydroxy-2-butanone 4-phosphate synthase from Methanococcus jannaschii in complex with the substrate ribulose 5-phosphate. Acta Crystallogr.,Sect.D, 60, 2004
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6E5B
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![BU of 6e5b by Molmil](/molmil-images/mine/6e5b) | Human Immunoproteasome 20S particle in complex with compound 1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Steinbacher, S, Augustin, M, Blaesse, M, Harris, S.F. | Deposit date: | 2018-07-19 | Release date: | 2019-09-11 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability. J.Med.Chem., 62, 2019
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1ONN
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![BU of 1onn by Molmil](/molmil-images/mine/1onn) | IspC apo structure | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | Authors: | Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | Deposit date: | 2003-02-28 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol
4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria
drug development. J.BIOL.CHEM., 278, 2003
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