2JJI
 
 | | Endothiapepsin in complex with a gem-diol inhibitor. | | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | Deposit date: | 2008-04-09 | | Release date: | 2008-05-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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6C23
 | | Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Compact Active State | | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ... | | Authors: | Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E. | | Deposit date: | 2018-01-05 | | Release date: | 2018-01-24 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structures of human PRC2 with its cofactors AEBP2 and JARID2.
Science, 359, 2018
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2JCG
 | | Apo form of the catabolite control protein A (ccpA) from bacillus megaterium, with the DNA binding domain | | Descriptor: | CALCIUM ION, GLUCOSE-RESISTANCE AMYLASE REGULATOR | | Authors: | Singh, R.K, Panjikar, S, Palm, G.J, Hinrichs, W. | | Deposit date: | 2006-12-22 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Apo Form of the Catabolite Control Protein a (Ccpa) from Bacillus Megaterium with a DNA-Binding Domain.
Acta Crystallogr.,Sect.F, 63, 2007
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5FAJ
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4R4Y
 | | Structural basis of a point mutation that causes the genetic disease Aspartylglucosaminuria | | Descriptor: | N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase, N-hydroxy-L-asparagine | | Authors: | Sui, L, Damodharan, L, Pande, S, Guo, H.C. | | Deposit date: | 2014-08-20 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of a Point Mutation that Causes the Genetic Disease Aspartylglucosaminuria.
Structure, 22, 2014
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6TSV
 | | Tail of empty GTA particle computed with helical refinement, C6 symmetry | | Descriptor: | Tail tube protein Rcc01691 | | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | | Deposit date: | 2019-12-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
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4JS7
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6TSW
 | | Isometric capsid of empty GTA particle computed with I4(I,n25r) symmetry | | Descriptor: | Major capsid protein Rcc01687 | | Authors: | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | | Deposit date: | 2019-12-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.03 Å) | | Cite: | Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
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6STD
 | | SCYTALONE DEHYDRATASE PLUS INHIBITOR 3 | | Descriptor: | 2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE, CALCIUM ION, Scytalone dehydratase | | Authors: | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | | Deposit date: | 1999-02-11 | | Release date: | 1999-12-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
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5FYG
 | | Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid | | Descriptor: | 12-HYDROXYDODECANOIC ACID, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Danesh-Azari, H.-R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. | | Deposit date: | 2016-03-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016
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6SNC
 | | crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LNO1 Heavy Chain, ... | | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | Deposit date: | 2019-08-23 | | Release date: | 2019-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
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6CHW
 | | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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2KM2
 | | Galectin-1 dimer | | Descriptor: | Galectin-1 | | Authors: | Nesmelova, I.V, Ermakova, E, Daragan, V.A, Pang, M, Baum, L.G, Mayo, K.H. | | Deposit date: | 2009-07-16 | | Release date: | 2010-04-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Lactose binding to galectin-1 modulates structural dynamics, increases conformational entropy, and occurs with apparent negative cooperativity.
J.Mol.Biol., 397, 2010
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5FYF
 | | Structure of CYP153A from Marinobacter aquaeolei | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Danesh Azari, H.R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. | | Deposit date: | 2016-03-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016
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6SNE
 | | crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LN01 heavy chain, ... | | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | Deposit date: | 2019-08-23 | | Release date: | 2019-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
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3MEB
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4JL4
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2IEL
 | | CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus | | Descriptor: | Hypothetical Protein TT0030 | | Authors: | Zhu, J, Huang, J, Stepanyuk, G, Chen, L, Chang, J, Zhao, M, Xu, H, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2006-09-19 | | Release date: | 2006-11-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus AT 1.6 ANGSTROMS RESOLUTION
To be Published
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4RJD
 | | TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains | | Descriptor: | 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Feldkamp, M.D, Gakhar, L, Pandey, N, Shea, M.A. | | Deposit date: | 2014-10-08 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin.
Proteins, 83, 2015
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4RLM
 | | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with CrystFEL | | Descriptor: | Lysozyme C | | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | | Deposit date: | 2014-10-17 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams.
Acta Crystallogr.,Sect.D, 71, 2015
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4RMG
 | | Human Sirt2 in complex with SirReal2 and NAD+ | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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3QWQ
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6U28
 | | Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human PI3K | | Descriptor: | Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | | Authors: | Cho, J.H, Zhao, B, Savage, N, Li, P. | | Deposit date: | 2019-08-19 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4S2U
 | | Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli | | Descriptor: | MAGNESIUM ION, Ribose-phosphate pyrophosphokinase | | Authors: | Timofeev, V.I, Abramchik, Y.A, Muravieva, T.I, Iaroslavtceva, A.K, Stepanenko, V.N, Zhukhlistova, N.E, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2015-01-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli
To be Published
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4TN8
 | | Crystal structure of Thermus Thermophilus thioredoxin solved by sulfur SAD using Swiss Light Source data | | Descriptor: | CHLORIDE ION, Thioredoxin | | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2014-06-03 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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