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3N5S
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BU of 3n5s by Molmil
Structure of endothelial nitric oxide synthase heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
3N6A
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BU of 3n6a by Molmil
Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
4ARE
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BU of 4are by Molmil
Crystal structure of the collagenase Unit of collagenase G from Clostridium histolyticum at 2.19 angstrom resolution.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, COLLAGENASE G, ...
Authors:Eckhard, U, Brandstetter, H.
Deposit date:2012-04-23
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T.
J.Biol.Chem., 288, 2013
6KEK
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BU of 6kek by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one
Descriptor: 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Lee, B.I, Park, T.H.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
3OUS
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BU of 3ous by Molmil
MthK channel pore T59A mutant
Descriptor: Calcium-gated potassium channel mthK, POTASSIUM ION
Authors:Derebe, M.G, Sauer, D.B, Zeng, W, Alam, A, Shi, N, Jiang, Y.
Deposit date:2010-09-15
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites.
Proc.Natl.Acad.Sci.USA, 108, 2011
4EDJ
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BU of 4edj by Molmil
Crystal structure of the GRASP55 GRASP Domain with a phosphomimetic mutation (S189D)
Descriptor: Golgi reassembly-stacking protein 2, POTASSIUM ION
Authors:Truschel, S.T, Zhang, M, Bachert, C, Macbeth, M.R, Linstedt, A.D.
Deposit date:2012-03-27
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Allosteric Regulation of GRASP Protein-dependent Golgi Membrane Tethering by Mitotic Phosphorylation.
J.Biol.Chem., 287, 2012
3C7G
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BU of 3c7g by Molmil
Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis in complex with xylotetraose.
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase, GLYCEROL, ...
Authors:Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M.
Deposit date:2008-02-07
Release date:2008-11-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family.
Biochem.J., 418, 2009
7FL0
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BU of 7fl0 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G11 from the F2X-Universal Library
Descriptor: 5-cyclopropyl-2H-tetrazole, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S.
Deposit date:2022-08-26
Release date:2022-11-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
3U4C
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BU of 3u4c by Molmil
Crystal structure of YwfH, NADPH dependent reductase involved in Bacilysin biosynthesis
Descriptor: Bacilysin biosynthesis oxidoreductase ywfH, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rajavel, M, Gopal, B.
Deposit date:2011-10-07
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural insights into the role of Bacillus subtilis YwfH (BacG) in tetrahydrotyrosine synthesis
Acta Crystallogr.,Sect.D, 69, 2013
3CRJ
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BU of 3crj by Molmil
Crystal structure of a TetR transcription regulator from Haloarcula marismortui ATCC 43049
Descriptor: CHLORIDE ION, Transcription regulator
Authors:Tan, K, Zhou, M, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-04-07
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of a TetR transcription regulator from Haloarcula marismortui ATCC 43049.
To be Published
3U49
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BU of 3u49 by Molmil
Crystal structure of YwfH, NADPH dependent reductase involved in Bacilysin biosynthesis
Descriptor: Bacilysin biosynthesis oxidoreductase ywfH
Authors:Rajavel, M, Gopal, B.
Deposit date:2011-10-07
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the role of Bacillus subtilis YwfH (BacG) in tetrahydrotyrosine synthesis
Acta Crystallogr.,Sect.D, 69, 2013
3PFZ
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BU of 3pfz by Molmil
Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ...
Authors:Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L.
Deposit date:2010-10-29
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.0993 Å)
Cite:Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
TO BE PUBLISHED
3PH1
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BU of 3ph1 by Molmil
The Crystal Structure of a Pathogenic Protein from the Xanthomonas campestris Reveals a New Tetrameric PilZ Domain Self-Assembled via a Unusual Helical Bundle
Descriptor: ACETATE ION, Putative uncharacterized protein
Authors:Li, T.-N, Chin, K.-H, Yang, M.-D, Chou, S.-H.
Deposit date:2010-11-03
Release date:2011-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of a Pathogenic Protein from the Xanthomonas campestris Reveals a New Tetrameric PilZ Domain Self-Assembled via a Unusual Helical Bundle
To be Published
3U4D
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BU of 3u4d by Molmil
Crystal structure of YwfH, NADPH dependent reductase involved in Bacilysin biosynthesis
Descriptor: Bacilysin biosynthesis oxidoreductase ywfH
Authors:Rajavel, M, Gopal, B.
Deposit date:2011-10-07
Release date:2013-03-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the role of Bacillus subtilis YwfH (BacG) in tetrahydrotyrosine synthesis
Acta Crystallogr.,Sect.D, 69, 2013
6O2X
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BU of 6o2x by Molmil
Structure of cruzain bound to MMTS inhibitor
Descriptor: 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION
Authors:Silva, E.B, Dall, E, Ferreira, R.S, Brandstetter, H.
Deposit date:2019-02-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.193 Å)
Cite:Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.
Acta Crystallogr.,Sect.F, 75, 2019
8B4W
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BU of 8b4w by Molmil
X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine
Descriptor: 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
8B4X
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BU of 8b4x by Molmil
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
8B4V
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BU of 8b4v by Molmil
X-ray structure of furin (PCSK3) in complex with benzamidine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
3Q5X
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BU of 3q5x by Molmil
Structure of proteasome tether
Descriptor: Protein cut8
Authors:Schumacher, M.A.
Deposit date:2010-12-30
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structure of Proteasome Tether
To be Published
3HUF
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BU of 3huf by Molmil
Structure of the S. pombe Nbs1-Ctp1 complex
Descriptor: DNA repair and telomere maintenance protein nbs1, Double-strand break repair protein ctp1, THIOCYANATE ION
Authors:Williams, R.S, Guenther, G, Tainer, J.A.
Deposit date:2009-06-13
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Nbs1 flexibly tethers Ctp1 and Mre11-Rad50 to coordinate DNA double-strand break processing and repair.
Cell(Cambridge,Mass.), 139, 2009
6OMF
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BU of 6omf by Molmil
CryoEM structure of SigmaS-transcription initiation complex with activator Crl
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Jaramillo Cartagena, A, Darst, S.A, Campbell, E.A.
Deposit date:2019-04-18
Release date:2019-08-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for transcription activation by Crl through tethering of sigmaSand RNA polymerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6X2Q
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BU of 6x2q by Molmil
Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase
Authors:Qin, Z, Wang, Y.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose
To Be Published
3ETU
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BU of 3etu by Molmil
Crystal structure of yeast Dsl1p
Descriptor: Protein transport protein DSL1
Authors:Ren, Y, Jeffrey, P.D, Hughson, F.M.
Deposit date:2008-10-08
Release date:2009-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of Tip20p and Dsl1p, subunits of the Dsl1p vesicle tethering complex.
Nat.Struct.Mol.Biol., 16, 2009
3QF8
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BU of 3qf8 by Molmil
X-ray crystal structure of the ruthenium complex [Ru(tap)2(dppz)]2+ bound to d(TCGGCGCCGA) at medium resolution
Descriptor: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION, Ru(tap)2(dppz) complex
Authors:Cardin, C.J, Hall, J.P.
Deposit date:2011-01-21
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure determination of an intercalating ruthenium dipyridophenazine complex which kinks DNA by semiintercalation of a tetraazaphenanthrene ligand.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HUE
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BU of 3hue by Molmil
Structure of the S. pombe Nbs1 FHA-BRCT1-BRCT2 domains
Descriptor: DNA repair and telomere maintenance protein nbs1
Authors:Williams, R.S, Guenther, G, Tainer, J.A.
Deposit date:2009-06-13
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nbs1 flexibly tethers Ctp1 and Mre11-Rad50 to coordinate DNA double-strand break processing and repair.
Cell(Cambridge,Mass.), 139, 2009

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数据于2024-07-10公开中

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