6T5I
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![BU of 6t5i by Molmil](/molmil-images/mine/6t5i) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | Descriptor: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | Deposit date: | 2019-10-16 | Release date: | 2021-10-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages. Plos Pathog., 18, 2022
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3NBU
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![BU of 3nbu by Molmil](/molmil-images/mine/3nbu) | Crystal structure of pGI glucosephosphate isomerase | Descriptor: | CHLORIDE ION, Glucose-6-phosphate isomerase | Authors: | Alber, T, Zubieta, C, Totir, M, May, A, Echols, N. | Deposit date: | 2010-06-04 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization. Plos One, 7, 2012
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1KDF
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![BU of 1kdf by Molmil](/molmil-images/mine/1kdf) | NORTH-ATLANTIC OCEAN POUT ANTIFREEZE PROTEIN TYPE III ISOFORM HPLC12 MUTANT, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | ANTIFREEZE PROTEIN | Authors: | Sonnichsen, F.D, Deluca, C.I, Davies, P.L, Sykes, B.D. | Deposit date: | 1996-07-08 | Release date: | 1997-04-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined solution structure of type III antifreeze protein: hydrophobic groups may be involved in the energetics of the protein-ice interaction. Structure, 4, 1996
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1KVU
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![BU of 1kvu by Molmil](/molmil-images/mine/1kvu) | UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Thoden, J.B, Gulick, A.M, Holden, H.M. | Deposit date: | 1997-03-07 | Release date: | 1998-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic roles of tyrosine 149 and serine 124 in UDP-galactose 4-epimerase from Escherichia coli. Biochemistry, 36, 1997
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3NJD
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3N6Q
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![BU of 3n6q by Molmil](/molmil-images/mine/3n6q) | Crystal structure of YghZ from E. coli | Descriptor: | MAGNESIUM ION, YghZ aldo-keto reductase | Authors: | Zubieta, C, Totir, M, Echols, N, May, A, Alber, T. | Deposit date: | 2010-05-26 | Release date: | 2011-06-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization. Plos One, 7, 2012
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6FLR
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![BU of 6flr by Molmil](/molmil-images/mine/6flr) | Super-open structure of the AMPAR GluA3 N-terminal domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 3 | Authors: | Garcia-Nafria, J. | Deposit date: | 2018-01-27 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Druggability Simulations and X-Ray Crystallography Reveal a Ligand-Binding Site in the GluA3 AMPA Receptor N-Terminal Domain. Structure, 27, 2019
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6FN1
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![BU of 6fn1 by Molmil](/molmil-images/mine/6fn1) | Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Human-mouse chimeric ABCB1 (ABCBHM), UIC2 Antigen Binding Fragment Heavy Chain, ... | Authors: | Alam, A, Locher, K.P. | Deposit date: | 2018-02-02 | Release date: | 2018-02-21 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structure of a zosuquidar and UIC2-bound human-mouse chimeric ABCB1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FVS
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3OVZ
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![BU of 3ovz by Molmil](/molmil-images/mine/3ovz) | Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead | Descriptor: | Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION | Authors: | Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. | Deposit date: | 2010-09-17 | Release date: | 2010-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6G2M
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![BU of 6g2m by Molmil](/molmil-images/mine/6g2m) | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PAU | Descriptor: | 1,2-ETHANEDIOL, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | Authors: | Pachl, P, Rezacova, P, Brynda, J. | Deposit date: | 2018-03-23 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases Eur.J.Org.Chem., 2018
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3P0T
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6G3Y
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![BU of 6g3y by Molmil](/molmil-images/mine/6g3y) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH5675 | Descriptor: | 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, ACETATE ION, N-glycosylase/DNA lyase, ... | Authors: | Masuyer, G, Helleday, T, Stenmark, P. | Deposit date: | 2018-03-26 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation. Science, 362, 2018
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4GKX
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![BU of 4gkx by Molmil](/molmil-images/mine/4gkx) | Crystal structure of a carbohydrate-binding domain | Descriptor: | CALCIUM ION, GLYCEROL, Protein ERGIC-53, ... | Authors: | Page, R.C, Zheng, C, Nix, J.C, Misra, S, Zhang, B. | Deposit date: | 2012-08-13 | Release date: | 2013-06-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Characterization of Carbohydrate Binding by LMAN1 Protein Provides New Insight into the Endoplasmic Reticulum Export of Factors V (FV) and VIII (FVIII). J.Biol.Chem., 288, 2013
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6FTW
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![BU of 6ftw by Molmil](/molmil-images/mine/6ftw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-02-24 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors. Bioorg.Med.Chem., 27, 2019
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3P9I
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![BU of 3p9i by Molmil](/molmil-images/mine/3p9i) | Crystal structure of perennial ryegrass LpOMT1 complexed with S-adenosyl-L-homocysteine and sinapaldehyde | Descriptor: | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal, BETA-MERCAPTOETHANOL, Caffeic acid O-methyltransferase, ... | Authors: | Louie, G.V, Noel, J.P, Bowman, M.E. | Deposit date: | 2010-10-17 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Function Analyses of a Caffeic Acid O-Methyltransferase from Perennial Ryegrass Reveal the Molecular Basis for Substrate Preference. Plant Cell, 22, 2010
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3P4T
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![BU of 3p4t by Molmil](/molmil-images/mine/3p4t) | Crystal structure of a putative acyl-CoA dehydrogenase from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Putative acyl-CoA dehydrogenase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2010-10-07 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
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6GJ5
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![BU of 6gj5 by Molmil](/molmil-images/mine/6gj5) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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1JES
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![BU of 1jes by Molmil](/molmil-images/mine/1jes) | Crystal Structure of a Copper-Mediated Base Pair in DNA | Descriptor: | 5'-D(*CP*GP*CP*GP*(DPY)P*AP*TP*(DRP)P*CP*GP*CP*G)-3', COPPER (II) ION | Authors: | Atwell, S, Meggers, E, Spraggon, G, Schultz, P.G. | Deposit date: | 2001-06-18 | Release date: | 2001-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a Copper-Mediated Base Pair in DNA J.Am.Chem.Soc., 123, 2001
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6GMZ
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6GNP
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![BU of 6gnp by Molmil](/molmil-images/mine/6gnp) | Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P) | Descriptor: | 3,5,6-trichloro-2-pyridinol, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-05-31 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.019 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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3O72
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![BU of 3o72 by Molmil](/molmil-images/mine/3o72) | Crystal structure of EfeB in complex with heme | Descriptor: | OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, Redox component of a tripartite ferrous iron transporter | Authors: | Liu, X, Du, Q, Wang, Z, Zhu, D, Huang, Y, Li, N, Xu, S, Gu, L. | Deposit date: | 2010-07-30 | Release date: | 2011-03-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and biochemical features of EfeB/YcdB from Escherichia coli O157: ASP235 plays divergent roles in different enzyme-catalyzed processes J.Biol.Chem., 286, 2011
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1K34
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![BU of 1k34 by Molmil](/molmil-images/mine/1k34) | Crystal structure analysis of gp41 core mutant | Descriptor: | Transmembrane glycoprotein GP41 | Authors: | Shu, W, Lu, M. | Deposit date: | 2001-10-01 | Release date: | 2001-10-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Interhelical interactions in the gp41 core: implications for activation of HIV-1 membrane fusion. Biochemistry, 41, 2002
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6H1J
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![BU of 6h1j by Molmil](/molmil-images/mine/6h1j) | TarP native | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase | Authors: | Guo, Y, Stehle, T. | Deposit date: | 2018-07-11 | Release date: | 2018-09-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. Nature, 563, 2018
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3O80
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![BU of 3o80 by Molmil](/molmil-images/mine/3o80) | Crystal structure of monomeric KlHxk1 in crystal form IX (open state) | Descriptor: | Hexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-08-02 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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