3S85
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![BU of 3s85 by Molmil](/molmil-images/mine/3s85) | Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. | Descriptor: | Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A. | Deposit date: | 2011-05-27 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects. J.Med.Chem., 52, 2009
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2FUU
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2G8S
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![BU of 2g8s by Molmil](/molmil-images/mine/2g8s) | Crystal structure of the soluble Aldose sugar dehydrogenase (Asd) from Escherichia coli in the apo-form | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glucose/sorbosone dehydrogenases, ... | Authors: | Southall, S.M, Doel, J.J, Richardson, D.J, Oubrie, A. | Deposit date: | 2006-03-03 | Release date: | 2006-08-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Soluble Aldose Sugar Dehydrogenase from Escherichia coli: A HIGHLY EXPOSED ACTIVE SITE CONFERRING BROAD SUBSTRATE SPECIFICITY. J.Biol.Chem., 281, 2006
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2GBW
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![BU of 2gbw by Molmil](/molmil-images/mine/2gbw) | Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 | Descriptor: | Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ... | Authors: | Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S. | Deposit date: | 2006-03-12 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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2GBX
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![BU of 2gbx by Molmil](/molmil-images/mine/2gbx) | Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 Bound to Biphenyl | Descriptor: | BIPHENYL, Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, ... | Authors: | Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S. | Deposit date: | 2006-03-12 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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2GD4
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![BU of 2gd4 by Molmil](/molmil-images/mine/2gd4) | Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex | 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-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ... | Authors: | Johnson, D.J, Li, W, Adams, T.E, Huntington, J.A. | Deposit date: | 2006-03-15 | Release date: | 2006-05-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Antithrombin-S195A factor Xa-heparin structure reveals the allosteric mechanism of antithrombin activation. Embo J., 25, 2006
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2GBR
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![BU of 2gbr by Molmil](/molmil-images/mine/2gbr) | Crystal Structure of the 35-36 MoaD Insertion Mutant of Ubiquitin | Descriptor: | CADMIUM ION, Ubiquitin | Authors: | Ferraro, D.M, Ferraro, D.J, Ramaswamy, S, Robertson, A.D. | Deposit date: | 2006-03-10 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Ubiquitin Insertion Mutants Support Site-specific Reflex Response to Insertions Hypothesis. J.Mol.Biol., 359, 2006
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5PGM
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2G30
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![BU of 2g30 by Molmil](/molmil-images/mine/2g30) | beta appendage of AP2 complexed with ARH peptide | Descriptor: | 16-mer peptide from Low density lipoprotein receptor adapter protein 1, AP-2 complex subunit beta-1, peptide sequence AAF | Authors: | Edeling, M.A, Collins, B.M, Traub, L.M, Owen, D.J. | Deposit date: | 2006-02-17 | Release date: | 2006-03-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular Switches Involving the AP-2 beta2 Appendage Regulate Endocytic Cargo Selection and Clathrin Coat Assembly Dev.Cell, 10, 2006
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2G9B
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![BU of 2g9b by Molmil](/molmil-images/mine/2g9b) | NMR solution structure of CA2+-loaded calbindin D28K | Descriptor: | Calbindin | Authors: | Kojetin, D.J, Venters, R.A, Kordys, D.R, Thompson, R.J, Kumar, R, Cavanagh, J. | Deposit date: | 2006-03-06 | Release date: | 2006-07-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure, binding interface and hydrophobic transitions of Ca(2+)-loaded calbindin-D(28K). Nat.Struct.Mol.Biol., 13, 2006
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2GBJ
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2GBN
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8HIF
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![BU of 8hif by Molmil](/molmil-images/mine/8hif) | One asymmetric unit of Singapore grouper iridovirus capsid | Descriptor: | Major capsid protein, Penton protein (VP14), VP137, ... | Authors: | Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F. | Deposit date: | 2022-11-20 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly. Nat Commun, 14, 2023
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8HFK
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8HFJ
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![BU of 8hfj by Molmil](/molmil-images/mine/8hfj) | Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone | Descriptor: | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase | Authors: | Hou, X.D, Yin, D.J, Rao, Y.J. | Deposit date: | 2022-11-10 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins. Nat Commun, 14, 2023
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7MU7
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![BU of 7mu7 by Molmil](/molmil-images/mine/7mu7) | Ask1 bound to compound 3 | Descriptor: | 1,2-ETHANEDIOL, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Chodaparambil, J.V, Marcotte, D.J. | Deposit date: | 2021-05-14 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Discovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo To Be Published
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1HXS
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![BU of 1hxs by Molmil](/molmil-images/mine/1hxs) | CRYSTAL STRUCTURE OF MAHONEY STRAIN OF POLIOVIRUS AT 2.2A RESOLUTION | Descriptor: | GENOME POLYPROTEIN, COAT PROTEIN VP1, COAT PROTEIN VP2, ... | Authors: | Miller, S.T, Hogle, J.M, Filman, D.J. | Deposit date: | 2001-01-16 | Release date: | 2002-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ab initio phasing of high-symmetry macromolecular complexes: successful phasing of authentic poliovirus data to 3.0 A resolution. J.Mol.Biol., 307, 2001
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7QZ1
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![BU of 7qz1 by Molmil](/molmil-images/mine/7qz1) | Formate dehydrogenase from Starkeya novella | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ... | Authors: | Pontillo, N, Slotboom, D.J, Guskov, A. | Deposit date: | 2022-01-30 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and structural insight into the chemical resistance and cofactor specificity of the formate dehydrogenase from Starkeya novella. Febs J., 290, 2023
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7SDE
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![BU of 7sde by Molmil](/molmil-images/mine/7sde) | Cryo-EM structure of Nse5/6 heterodimer | Descriptor: | Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera | Authors: | Yu, Y, Patel, D.J, Zhao, X.L. | Deposit date: | 2021-09-29 | Release date: | 2021-10-13 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The cryo-EM structure of Nse5/6 complex with the C terminal part of Nse5 To Be Published
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7S1G
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![BU of 7s1g by Molmil](/molmil-images/mine/7s1g) | wild-type Escherichia coli stalled ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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7S1H
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![BU of 7s1h by Molmil](/molmil-images/mine/7s1h) | Wild-type Escherichia coli ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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7SJR
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![BU of 7sjr by Molmil](/molmil-images/mine/7sjr) | Cryo-EM structure of AdnA-AdnB(W325A) in complex with DNA and AMPPNP | Descriptor: | DNA (70-MER), DNA helicase, IRON/SULFUR CLUSTER, ... | Authors: | Wang, J, Warren, G.M, Shuman, S, Patel, D.J. | Deposit date: | 2021-10-18 | Release date: | 2021-12-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure-activity relationships at a nucleobase-stacking tryptophan required for chemomechanical coupling in the DNA resecting motor-nuclease AdnAB. Nucleic Acids Res., 50, 2022
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7S1K
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![BU of 7s1k by Molmil](/molmil-images/mine/7s1k) | Cfr-modified Escherichia coli stalled ribosome with antibiotic radezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Tsai, K, Stojkovic, V, Lee, D.J, Young, I.D, Szal, T, Vazquez-Laslop, N, Mankin, A.S, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2022-01-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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4MSU
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![BU of 4msu by Molmil](/molmil-images/mine/4msu) | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | Deposit date: | 2013-09-18 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept. J.Med.Chem., 57, 2014
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7WRN
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