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4INA
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BU of 4ina by Molmil
Crystal Structure of the Q7MSS8_WOLSU protein from Wolinella succinogenes. Northeast Structural Genomics Consortium Target WsR35
Descriptor: saccharopine dehydrogenase
Authors:Vorobiev, S, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-01-04
Release date:2013-01-16
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Crystal Structure of the Q7MSS8_WOLSU protein from Wolinella succinogenes.
To be Published
6FCJ
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BU of 6fcj by Molmil
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Arxiv, 2019
2J1U
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BU of 2j1u by Molmil
Structure of a Streptococcus pneumoniae fucose binding module in complex with the blood group A-tetrasaccharide
Descriptor: CALCIUM ION, FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Boraston, A.B, Wang, D, Burke, R.D.
Deposit date:2006-08-15
Release date:2006-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Blood Group Antigen Recognition by a Streptococcus Pneumoniae Virulence Factor
J.Biol.Chem., 281, 2006
6FGT
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BU of 6fgt by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 3
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
Descriptor: Dispase autolysis-inducing protein, Thermolysin
Authors:Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
Deposit date:2018-01-15
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
6F8E
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BU of 6f8e by Molmil
PH domain from TgAPH
Descriptor: Pleckstrin homology domain
Authors:Darvill, N, Liu, B, Matthews, S, Soldati-Favre, D, Rouse, S, Benjamin, S, Blake, T, Dubois, D.J, Hammoudi, P.M, Pino, P.
Deposit date:2017-12-13
Release date:2019-01-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Basis of Phosphatidic Acid Sensing by APH in Apicomplexan Parasites.
Structure, 26, 2018
2J44
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BU of 2j44 by Molmil
Alpha-glucan binding by a streptococcal virulence factor
Descriptor: ALKALINE AMYLOPULLULANASE, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Lammerts van Bueren, A, Higgins, M, Wang, D, Burke, R.D, Boraston, A.B.
Deposit date:2006-08-24
Release date:2006-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Structural Basis of Binding to Host Lung Glycogen by Streptococcal Virulence Factors.
Nat.Struct.Mol.Biol., 14, 2007
2J4B
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BU of 2j4b by Molmil
Crystal structure of Encephalitozoon cuniculi TAF5 N-terminal domain
Descriptor: TRANSCRIPTION INITIATION FACTOR TFIID SUBUNIT 72/90-100 KDA
Authors:Romier, C, James, N, Birck, C, Cavarelli, J, Vivares, C, Collart, M.A, Moras, D.
Deposit date:2006-08-28
Release date:2007-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure, Biochemical and Genetic Characterization of Yeast and E. Cuniculi Taf(II)5 N-Terminal Domain: Implications for TFIID Assembly.
J.Mol.Biol., 368, 2007
2J4I
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BU of 2j4i by Molmil
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor: 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ...
Authors:Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P.
Deposit date:2006-08-31
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs.
Bioorg.Med.Chem.Lett., 16, 2006
6FGE
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BU of 6fge by Molmil
Crystal structure of human ZUFSP/ZUP1 in complex with ubiquitin
Descriptor: ACETATE ION, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kwasna, D, Abdul Rehman, S.A, Kulathu, Y.
Deposit date:2018-01-10
Release date:2018-04-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery and Characterization of ZUFSP/ZUP1, a Distinct Deubiquitinase Class Important for Genome Stability.
Mol. Cell, 70, 2018
6FGV
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BU of 6fgv by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 3
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
Authors:Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A.
Deposit date:2018-01-11
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
6EYT
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BU of 6eyt by Molmil
Crystal structure of the Salmonella effector SseK3 in complex with UDP-GlcNAc and Manganese
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, IODIDE ION, MANGANESE (II) ION, ...
Authors:Esposito, D, Rittinger, K.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for the glycosyltransferase activity of theSalmonellaeffector SseK3.
J. Biol. Chem., 293, 2018
2J1M
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BU of 2j1m by Molmil
P450 BM3 Heme domain in complex with DMSO
Descriptor: CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U.
Deposit date:2006-08-14
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
2IUC
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BU of 2iuc by Molmil
Structure of alkaline phosphatase from the Antarctic bacterium TAB5
Descriptor: ALKALINE PHOSPHATASE, CACODYLATE ION, MAGNESIUM ION, ...
Authors:Wang, E, Koutsioulis, D, Leiros, H.K.S, Andersen, O.A, Bouriotis, V, Hough, E, Heikinheimo, P.
Deposit date:2006-06-01
Release date:2006-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Alkaline Phosphatase from the Antarctic Bacterium Tab5.
J.Mol.Biol., 366, 2007
2J2Z
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BU of 2j2z by Molmil
X-Ray Structure of the Chaperone PapD in complex with the Pilus terminator subunit PapH at 2.3 Angstrom resolution
Descriptor: CHAPERONE PROTEIN PAPD, COBALT (II) ION, PAP FIMBRIAL MINOR PILIN PROTEIN, ...
Authors:Verger, D, Miller, E, Remaut, H, Waksman, G, Hultgren, S.
Deposit date:2006-08-17
Release date:2006-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Mechanism of P Pilus Termination in Uropathogenic Escherichia Coli.
Embo Rep., 7, 2006
2J0M
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BU of 2j0m by Molmil
Crystal structure a two-chain complex between the FERM and kinase domains of focal adhesion kinase.
Descriptor: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1
Authors:Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J.
Deposit date:2006-08-03
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Cell(Cambridge,Mass.), 129, 2007
6F8Y
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BU of 6f8y by Molmil
Crystal structure of P. abyssi Sua5 complexed with L-threonine
Descriptor: THREONINE, Threonylcarbamoyl-AMP synthase
Authors:Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T.
Deposit date:2017-12-13
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification.
RNA, 24, 2018
2J5C
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BU of 2j5c by Molmil
Rational conversion of substrate and product specificity in a monoterpene synthase. Structural insights into the molecular basis of rapid evolution.
Descriptor: 1,8-CINEOLE SYNTHASE, BETA-MERCAPTOETHANOL
Authors:Kampranis, S.C, Ioannidis, D, Purvis, A, Mahrez, W, Ninga, E, Katerelos, N.A, Anssour, S, Dunwell, J.M, Makris, A.M, Goodenough, P.W, Johnson, C.B.
Deposit date:2006-09-14
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational Conversion of Substrate and Product Specificity in a Salvia Monoterpene Synthase: Structural Insights Into the Evolution of Terpene Synthase Function.
Plant Cell, 19, 2007
6EZG
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BU of 6ezg by Molmil
Torpedo californica AChE in complex with indolic multi-target directed ligand
Descriptor: 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C.
Deposit date:2017-11-15
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
2J0K
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BU of 2j0k by Molmil
Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains.
Descriptor: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1
Authors:Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J.
Deposit date:2006-08-03
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Cell(Cambridge,Mass.), 129, 2007
4EAI
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BU of 4eai by Molmil
Co-crystal structure of an AMPK core with AMP
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W.
Deposit date:2012-03-22
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
6FCZ
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BU of 6fcz by Molmil
Model of gC1q-Fc complex based on 7A EM map
Descriptor: Complement C1q subcomponent subunit A, Complement C1q subcomponent subunit B, Complement C1q subcomponent subunit C, ...
Authors:Ugurlar, D, Howes, S.C, de Kreuk, B.J.K, de Jong, R.N, Beurskens, F.J, Koster, A.J, Parren, P.W.H.I, Sharp, T.H, Gros, P, Koning, R.I.
Deposit date:2017-12-21
Release date:2018-02-28
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Structures of C1-IgG1 provide insights into how danger pattern recognition activates complement.
Science, 359, 2018
4E4E
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BU of 4e4e by Molmil
Crystal Structure of the Y34F mutant of Saccharomyces cerevisiae Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Sheng, Y, Cascio, D, Valentine, J.S.
Deposit date:2012-03-12
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Six-coordinate manganese(3+) in catalysis by yeast manganese superoxide dismutase.
Proc.Natl.Acad.Sci.USA, 109, 2012
2J0J
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BU of 2j0j by Molmil
Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains.
Descriptor: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1
Authors:Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J.
Deposit date:2006-08-03
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Autoinhibition of Focal Adhesion Kinase
Cell(Cambridge,Mass.), 129, 2007
5NJ5
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BU of 5nj5 by Molmil
E. coli Microcin-processing metalloprotease TldD/E with phosphate bound
Descriptor: 1,2-ETHANEDIOL, Metalloprotease PmbA, Metalloprotease TldD, ...
Authors:Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2017-03-28
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017

224004

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