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3GOH
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BU of 3goh by Molmil
Crystal structure of alcohol dehydrogenase superfamily protein (NP_718042.1) from Shewanella oneidensis at 1.55 A resolution
Descriptor: Alcohol dehydrogenase, zinc-containing, GLYCEROL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-03-19
Release date:2009-03-31
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of alcohol dehydrogenase superfamily protein (NP_718042.1) from Shewanella oneidensis at 1.55 A resolution
To be published
6T13
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BU of 6t13 by Molmil
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
Descriptor: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
Deposit date:2019-10-03
Release date:2020-12-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
6NKC
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BU of 6nkc by Molmil
Crystal Structure of the Lipase Lip_vut1 from Goat Rumen metagenome.
Descriptor: 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ...
Authors:Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A.
Deposit date:2019-01-07
Release date:2020-01-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Crystal Structure of the Lipase Lip_vut1 from Goat Rumen metagenome.
To Be Published
8I27
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BU of 8i27 by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, 4-methoxybenzenecarbonitrile, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2A
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BU of 8i2a by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, 5-METHOXYBENZIMIDAZOLE, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
3U7U
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BU of 3u7u by Molmil
Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuregulin 1, Receptor tyrosine-protein kinase erbB-4
Authors:Liu, P, Cleveland IV, T.E, Bouyain, S, Longo, P.A, Leahy, D.J.
Deposit date:2011-10-14
Release date:2012-08-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:A single ligand is sufficient to activate EGFR dimers.
Proc.Natl.Acad.Sci.USA, 109, 2012
7A1I
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BU of 7a1i by Molmil
Crystal structure of the BILBO2/FPC4 complex
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BILBO1_N domain-containing protein, ...
Authors:Dong, G.
Deposit date:2020-08-13
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural and functional studies of the first tripartite protein complex at the Trypanosoma brucei flagellar pocket collar.
Plos Pathog., 17, 2021
8I2C
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BU of 8i2c by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, 4-methoxyaniline, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2L
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BU of 8i2l by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
5FKB
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BU of 5fkb by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with 1-Kestose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-FRUCTOFURANOSIDASE, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2015-10-15
Release date:2016-02-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity
J.Biol.Chem., 291, 2016
4YL9
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BU of 4yl9 by Molmil
Crystal Structure of wild-type of hsp14.1 from Sulfolobus solfatataricus P2
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Heat shock protein Hsp20
Authors:Liu, L, Chen, J.Y, Yun, C.H.
Deposit date:2015-03-05
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
4ERW
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BU of 4erw by Molmil
CDK2 in complex with staurosporine
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE
Authors:Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2012-04-20
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
1KWF
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BU of 1kwf by Molmil
Atomic Resolution Structure of an Inverting Glycosidase in Complex with Substrate
Descriptor: Endoglucanase A, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Guerin, D.M.A, Lascombe, M.-B, Costabel, M, Souchon, H, Lamzin, V, Beguin, P, Alzari, P.M.
Deposit date:2002-01-29
Release date:2002-03-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Atomic (0.94 A) resolution structure of an inverting glycosidase in complex with substrate.
J.Mol.Biol., 316, 2002
2N4Y
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BU of 2n4y by Molmil
Structure and possible function of a G-quadruplex in the long terminal repeat of the proviral HIV-1 genome
Descriptor: DNA_(5'-D(*CP*TP*GP*GP*GP*CP*GP*GP*GP*AP*CP*TP*GP*GP*GP*GP*AP*GP*TP*GP*GP*T)-3')
Authors:DeNicola, B, Lech, C.J, Heddi, B, Regmi, S, Frasson, I, Perrone, R, Richter, S.N, Phan, A.T.
Deposit date:2015-07-02
Release date:2016-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and possible function of a G-quadruplex in the long terminal repeat of the proviral HIV-1 genome.
Nucleic Acids Res., 44, 2016
6D5M
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BU of 6d5m by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole, GTPase HRas, MAGNESIUM ION, ...
Authors:Phan, J, Hodges, T, Fesik, S.W.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
9CQ5
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BU of 9cq5 by Molmil
Mn-bound RuBisCO from spinach with CABP inhibitor
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MANGANESE (II) ION, Ribulose bisphosphate carboxylase large chain, ...
Authors:Voland, R.W, Lancaster, K.M.
Deposit date:2024-07-19
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of Mn(II)-bound Rubisco from Spinacia oleracea.
J.Inorg.Biochem., 260, 2024
7AE4
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BU of 7ae4 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in closed form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
6DNB
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BU of 6dnb by Molmil
Crystal structure of T110A:S256A mutant human Glutamate oxaloacetate transaminase 1 (GOT1)
Descriptor: Aspartate aminotransferase, cytoplasmic, GLYCEROL, ...
Authors:Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
Deposit date:2018-06-06
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
4N2Z
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BU of 4n2z by Molmil
Crystal Structure of the alpha-L-arabinofuranosidase PaAbf62A from Podospora anserina in complex with cellotriose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Siguier, B, Dumon, C, Mourey, L, Tranier, S.
Deposit date:2013-10-06
Release date:2014-01-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:First Structural Insights into alpha-L-Arabinofuranosidases from the Two GH62 Glycoside Hydrolase Subfamilies.
J.Biol.Chem., 289, 2014
4EDL
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BU of 4edl by Molmil
Crystal structure of beta-parvin CH2 domain
Descriptor: 1,2-ETHANEDIOL, Beta-parvin
Authors:Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J.
Deposit date:2012-03-27
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for paxillin binding and focal adhesion targeting of beta-parvin.
J.Biol.Chem., 287, 2012
3H6O
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BU of 3h6o by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-23
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
1KR0
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BU of 1kr0 by Molmil
Hevamine Mutant D125A/Y183F in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
1KR1
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BU of 1kr1 by Molmil
Hevamine Mutant D125A/E127A in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
3HC1
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BU of 3hc1 by Molmil
Crystal structure of HDOD domain protein with unknown function (NP_953345.1) from GEOBACTER SULFURREDUCENS at 1.90 A resolution
Descriptor: CHLORIDE ION, FE (III) ION, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-05-05
Release date:2009-06-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of HDOD domain protein with unknown function (NP_953345.1) from GEOBACTER SULFURREDUCENS at 1.90 A resolution
To be published
7O48
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BU of 7o48 by Molmil
Crystal structure of carbonic anhydrase from schistosoma mansoni with 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-04-05
Release date:2022-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021

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数据于2025-10-08公开中

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