5USG
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![BU of 5usg by Molmil](/molmil-images/mine/5usg) | 5-Se-T2/4-DNA and native RNA hybrid in complex with RNase H catalytic domain D132N mutant | Descriptor: | DNA (5'-D(*AP*(T5S)P*GP*(T5S)P*CP*G)-3'), MAGNESIUM ION, RNA (5'-R(*UP*CP*GP*AP*CP*A)-3'), ... | Authors: | Fang, Z, Qin, L, Huang, Z. | Deposit date: | 2017-02-13 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate Chemistryselect, 8, 2023
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5VBU
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2HMI
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![BU of 2hmi by Molmil](/molmil-images/mine/2hmi) | HIV-1 REVERSE TRANSCRIPTASE/FRAGMENT OF FAB 28/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3'), FAB FRAGMENT OF MONOCLONAL ANTIBODY 28, ... | Authors: | Ding, J, Arnold, E. | Deposit date: | 1998-04-10 | Release date: | 1998-10-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution. J.Mol.Biol., 284, 1998
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7V4Y
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![BU of 7v4y by Molmil](/molmil-images/mine/7v4y) | TTHA1264/TTHA1265 complex | Descriptor: | Putative zinc protease, ZINC ION, Zinc-dependent peptidase | Authors: | Xu, M, Xu, Q, Ran, T, Wang, W, Sun, B, Wang, Q. | Deposit date: | 2021-08-16 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of TTHA1265 and TTHA1264/TTHA1265 complex reveal an intrinsic heterodimeric assembly. Int.J.Biol.Macromol., 207, 2022
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2MQW
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2K8Y
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![BU of 2k8y by Molmil](/molmil-images/mine/2k8y) | Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187 | Descriptor: | Uncharacterized protein MJ0187 | Authors: | Rumpel, S, Fares, C, Neculai, D, Arrowsmith, C, Montelione, G.T, Sicheri, F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-09-25 | Release date: | 2008-11-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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2MRI
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2MR3
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![BU of 2mr3 by Molmil](/molmil-images/mine/2mr3) | A subunit of 26S proteasome lid complex | Descriptor: | 26S proteasome regulatory subunit RPN9 | Authors: | Wu, Y, Hu, Y, Jin, C. | Deposit date: | 2014-06-30 | Release date: | 2015-02-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of yeast Rpn9: insights into proteasome lid assembly. J. Biol. Chem., 290, 2015
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3HLC
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![BU of 3hlc by Molmil](/molmil-images/mine/3hlc) | Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLD
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![BU of 3hld by Molmil](/molmil-images/mine/3hld) | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLG
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![BU of 3hlg by Molmil](/molmil-images/mine/3hlg) | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with lovastatin | Descriptor: | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLE
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![BU of 3hle by Molmil](/molmil-images/mine/3hle) | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLF
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![BU of 3hlf by Molmil](/molmil-images/mine/3hlf) | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin | Descriptor: | Simvastatin acid, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HL9
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![BU of 3hl9 by Molmil](/molmil-images/mine/3hl9) | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded | Descriptor: | Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3HLB
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![BU of 3hlb by Molmil](/molmil-images/mine/3hlb) | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | Descriptor: | SULFATE ION, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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7MET
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![BU of 7met by Molmil](/molmil-images/mine/7met) | A. baumannii MsbA in complex with TBT1 decoupler | Descriptor: | 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-07 | Release date: | 2021-10-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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7MEW
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![BU of 7mew by Molmil](/molmil-images/mine/7mew) | E. coli MsbA in complex with G247 | Descriptor: | (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase | Authors: | Thelot, F, Liao, M. | Deposit date: | 2021-04-08 | Release date: | 2021-10-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Distinct allosteric mechanisms of first-generation MsbA inhibitors. Science, 374, 2021
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8F2M
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3IK9
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![BU of 3ik9 by Molmil](/molmil-images/mine/3ik9) | Human GST A1-1-GIMF with GSDHN | Descriptor: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1 | Authors: | Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2009-08-05 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry, 49, 2010
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3IK7
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![BU of 3ik7 by Molmil](/molmil-images/mine/3ik7) | Human glutathione transferase a4-4 with GSDHN | Descriptor: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A4, SULFATE ION | Authors: | Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2009-08-05 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry, 49, 2010
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8GRY
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![BU of 8gry by Molmil](/molmil-images/mine/8gry) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-03 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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6NAK
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![BU of 6nak by Molmil](/molmil-images/mine/6nak) | BACTERIAL PROTEIN COMPLEX TM BDE complex | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, TsaE, ... | Authors: | Stec, B. | Deposit date: | 2018-12-05 | Release date: | 2023-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Discovery of the Universal tRNA Binding Mode for the TsaD-like Components of the t6A tRNA Modification Pathway Biophysica, 3, 2023
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7YC9
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![BU of 7yc9 by Molmil](/molmil-images/mine/7yc9) | Co-crystal structure of BTK kinase domain with inhibitor | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | Authors: | Zhou, X. | Deposit date: | 2022-07-01 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases. J.Med.Chem., 66, 2023
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8H06
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![BU of 8h06 by Molmil](/molmil-images/mine/8h06) | Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-28 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8H5C
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![BU of 8h5c by Molmil](/molmil-images/mine/8h5c) | Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-10-12 | Release date: | 2023-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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