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6KWE
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BU of 6kwe by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2021-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes : implications for the catalytic mechanism
To Be Published
3VB3
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BU of 3vb3 by Molmil
Crystal structure of SARS-CoV 3C-like protease in apo form
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, DI(HYDROXYETHYL)ETHER
Authors:Chuck, C.P, Wong, K.B.
Deposit date:2011-12-31
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
1GN0
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BU of 1gn0 by Molmil
Escherichia coli GlpE sulfurtransferase soaked with KCN
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, THIOSULFATE SULFURTRANSFERASE GLPE
Authors:Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D.
Deposit date:2001-10-01
Release date:2001-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
3L44
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BU of 3l44 by Molmil
Crystal structure of Bacillus anthracis HemL-1, glutamate semialdehyde aminotransferase
Descriptor: Glutamate-1-semialdehyde 2,1-aminomutase 1
Authors:Anderson, S.M, Wawrzak, Z, Gordon, E, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-12-18
Release date:2010-01-19
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Bacillus anthracis HemL-1, glutamate semialdehyde aminotransferase
TO BE PUBLISHED
7D9C
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BU of 7d9c by Molmil
Alpha-glucosidase from Weissella cibaria BBK-1 bound with maltose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-glycosidase, CALCIUM ION, ...
Authors:Krusong, K, Wangpaiboon, K, Kim, S, Mori, T, Hakoshima, T.
Deposit date:2020-10-13
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A GH13 alpha-glucosidase from Weissella cibaria uncommonly acts on short-chain maltooligosaccharides.
Acta Crystallogr D Struct Biol, 77, 2021
1VBU
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BU of 1vbu by Molmil
Crystal structure of native xylanase 10B from Thermotoga maritima
Descriptor: ACETIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Ihsanawati, Kumasaka, T, Kaneko, T, Nakamura, S, Tanaka, N.
Deposit date:2004-03-02
Release date:2005-06-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the substrate subsite and the highly thermal stability of xylanase 10B from Thermotoga maritima MSB8
Proteins, 61, 2005
5J41
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BU of 5j41 by Molmil
Glutathione S-transferase bound with hydrolyzed Piperlongumine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(3,4,5-trimethoxyphenyl)propanoic acid, GLUTATHIONE, ...
Authors:Harshbarger, W, Gondi, S, Ficarro, S, Hunter, J, Udayakumar, D, Gurbani, D, Marto, J, Westover, K.
Deposit date:2016-03-31
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19035351 Å)
Cite:Structural and Biochemical Analyses Reveal the Mechanism of Glutathione S-Transferase Pi 1 Inhibition by the Anti-cancer Compound Piperlongumine.
J. Biol. Chem., 292, 2017
4DT3
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BU of 4dt3 by Molmil
Crystal structure of zinc-charged lysozyme
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:An, Y.J, Jeong, C.S, Cha, S.S.
Deposit date:2012-02-20
Release date:2012-09-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental phasing using zinc anomalous scattering
Acta Crystallogr.,Sect.D, 68, 2012
1GMX
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BU of 1gmx by Molmil
Escherichia coli GlpE sulfurtransferase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, THIOSULFATE SULFURTRANSFERASE GLPE
Authors:Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
5C3B
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BU of 5c3b by Molmil
Crystal structure of ABBA + UDP-C-Gal (long soak) + DI
Descriptor: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C47
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BU of 5c47 by Molmil
Crystal structure of ABBB + UDP-C-Gal (long soak) + DI
Descriptor: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
3KMY
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BU of 3kmy by Molmil
Structure of BACE bound to SCH12472
Descriptor: 3-[2-(3-chlorophenyl)ethyl]pyridin-2-amine, Beta-secretase 1
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
4FXA
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BU of 4fxa by Molmil
Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl arginine at 1.7 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-ACETYL-ARGININE, ...
Authors:Singh, A, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-07-03
Release date:2012-07-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl arginine at 1.7 Angstrom resolution
To be Published
5IWM
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BU of 5iwm by Molmil
2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA.
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*TP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*AP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Miles, T.J.
Deposit date:2016-03-22
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
5ZV2
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BU of 5zv2 by Molmil
FGFR-1 in complex with ligand lenvatinib
Descriptor: 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide, Fibroblast growth factor receptor 1
Authors:Matsuki, M, Hoshi, T, Yamamoto, Y, Ikemori-Kawada, M, Minoshima, Y, Funahashi, Y, Matsui, J.
Deposit date:2018-05-09
Release date:2018-07-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Lenvatinib inhibits angiogenesis and tumor fibroblast growth factor signaling pathways in human hepatocellular carcinoma models.
Cancer Med, 7, 2018
4C4Y
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BU of 4c4y by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4
Descriptor: 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
Authors:Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4KTN
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BU of 4ktn by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor ((3S)-1-[2-(PYRIDO[2,3-B]PYRAZIN-7-YLSULFANYL)-9H-PYRIMIDO[4,5-B]INDOL-4-YL]PYRROLIDIN-3-AMINE)
Descriptor: (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B
Authors:Bensen, D.C, Akers-rodriguez, S, Tari, L.W.
Deposit date:2013-05-20
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
2ZJF
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BU of 2zjf by Molmil
Crystal structure of Mycobacterium tuberculosis epoxide hydrolase B complexed with an inhibitor
Descriptor: 1,3-DIPHENYLUREA, ACETATE ION, Probable epoxide hydrolase ephB
Authors:Biswal, B.K, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-03-07
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.
J.Mol.Biol., 381, 2008
5V37
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BU of 5v37 by Molmil
Crystal structure of SMYD3 with SAM and EPZ028862
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2017-03-06
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Plos One, 13, 2018
2Y5J
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BU of 2y5j by Molmil
Crystal structure of Burkholderia cenocepacia dihydropteroate synthase.
Descriptor: 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE
Authors:Morgan, R.E, Batot, G.O, Dement, J.M, Rao, V.A, Eadsforth, T.C, Hunter, W.N.
Deposit date:2011-01-13
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structures of Burkholderia Cenocepacia Dihydropteroate Synthase in the Apo-Form and Complexed with the Product 7,8-Dihydropteroate.
Bmc Struct.Biol., 11, 2011
7ZXU
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BU of 7zxu by Molmil
SARS-CoV-2 Omicron BA.4/5 RBD in complex with Beta-27 Fab and C1 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-27 heavy chain, Beta-27 light chain, ...
Authors:Huo, J, Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2022-05-23
Release date:2022-06-29
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Antibody escape of SARS-CoV-2 Omicron BA.4 and BA.5 from vaccine and BA.1 serum.
Cell, 185, 2022
3KN0
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BU of 3kn0 by Molmil
Structure of BACE bound to SCH708236
Descriptor: 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Wang, Y.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel muM Leads for the Development of nM BACE-1 (beta-Site APP Cleaving Enzyme 1) Inhibitors.
J.Med.Chem., 53, 2010
4BW9
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BU of 4bw9 by Molmil
PylRS Y306G, Y384F, I405R mutant in complex with AMP-PNP
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schneider, S, Vrabel, M, Gattner, M.J, Fluegel, V, Lopez-Carillo, V, Carell, T.
Deposit date:2013-07-01
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Insights Into Incorporation of Norbornene Amino Acids for Click Modification of Proteins
Chem.Bio.Chem., 14, 2013
5VCL
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BU of 5vcl by Molmil
Structure of the Qdm peptide bound to Qa-1a
Descriptor: Beta-2-microglobulin, GLYCEROL, H2-T23 protein, ...
Authors:Ying, G, Zajonc, D.M.
Deposit date:2017-03-31
Release date:2017-10-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Qa-1a with bound Qa-1 determinant modifier peptide.
PLoS ONE, 12, 2017
8A9I
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BU of 8a9i by Molmil
PI3KC2a core in complex with PITCOIN1
Descriptor: 1,2-ETHANEDIOL, 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ...
Authors:Lo, W.T, Roske, Y, Daumke, O, Haucke, V.
Deposit date:2022-06-28
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023

242842

数据于2025-10-08公开中

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