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1CEL
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BU of 1cel by Molmil
THE THREE-DIMENSIONAL CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF CELLOBIOHYDROLASE I FROM TRICHODERMA REESEI
分子名称: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-IODOBENZYLTHIO GROUP, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Divne, C, Jones, T.A.
登録日1994-05-17
公開日1994-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The three-dimensional crystal structure of the catalytic core of cellobiohydrolase I from Trichoderma reesei.
Science, 265, 1994
5DLW
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BU of 5dlw by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA)
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ...
著者Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A.
登録日2015-09-07
公開日2016-04-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
6HVJ
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BU of 6hvj by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3
分子名称: 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ...
著者Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
登録日2018-10-11
公開日2018-11-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
3WAX
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BU of 3wax by Molmil
Crystal Structure of Autotaxin in Complex with 3BoA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-05-09
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3WAY
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BU of 3way by Molmil
Crystal Structure of Autotaxin in Complex with 4BoA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-05-09
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
3WAV
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BU of 3wav by Molmil
Crystal Structure of Autotaxin in Complex with Compound 10
分子名称: (5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-05-09
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
6CVB
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BU of 6cvb by Molmil
CryoEM structure of human enterovirus D68 in complex with 6'-sialyl-N-acetyllactosamine
分子名称: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, viral protein 1, viral protein 2, ...
著者Liu, Y, Rossmann, M.G.
登録日2018-03-27
公開日2019-07-24
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Bypassing pan-enterovirus host factor PLA2G16.
Nat Commun, 10, 2019
4UAF
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BU of 4uaf by Molmil
Importin alpha 1 delta IBB in complex with Influenza PB2 nuclear localization domain
分子名称: Importin subunit alpha-1, PHOSPHATE ION, Polymerase basic protein 2
著者Pumroy, R.A, Cingolani, G.
登録日2014-08-08
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin alpha Isoforms 3 and 7.
Structure, 23, 2015
4TVE
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BU of 4tve by Molmil
Structure Of the First Two Thioredoxin Domains of Naumovozyma dairenensis Eps1p
分子名称: Naumovozyma dairenensis Eps1p
著者Deborah, F, Biran, S.
登録日2014-06-26
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The eps1p protein disulfide isomerase conserves classic thioredoxin superfamily amino Acid motifs but not their functional geometries.
Plos One, 9, 2014
4TWI
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BU of 4twi by Molmil
The structure of Sir2Af1 bound to a succinylated histone peptide
分子名称: GLYCEROL, NAD-dependent protein deacylase 1, Succinylated H4 Peptide (aa8-20), ...
著者Ringel, A.E, Roman, C, Wolberger, C.
登録日2014-06-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2.
Protein Sci., 23, 2014
4TXD
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BU of 4txd by Molmil
Crystal structure of Thermofilum pendens Csc2
分子名称: Csc2, ZINC ION
著者Hrle, A, Conti, E.
登録日2014-07-03
公開日2014-08-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.818 Å)
主引用文献Structural analyses of the CRISPR protein Csc2 reveal the RNA-binding interface of the type I-D Cas7 family.
Rna Biol., 11, 2014
4TY9
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BU of 4ty9 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 5-(trifluoromethyl)pyridin-2-amine, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TZF
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BU of 4tzf by Molmil
Structure of metallo-beta lactamase
分子名称: NDM-8 metallo-beta-lactamase, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-10
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献structure of metallo-beta lactamase
To Be Published
4TZS
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BU of 4tzs by Molmil
Structure of C. elegans HTP-2 bound to HIM-3 closure motif, P212121 form
分子名称: C. elegans HIM-3 closure motif, Protein HTP-2
著者Rosenberg, S.C, Corbett, K.D.
登録日2014-07-10
公開日2014-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
4TUM
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BU of 4tum by Molmil
Crystal structure of Ankyrin Repeat Domain of AKR2
分子名称: Ankyrin repeat domain-containing protein 2
著者Gwon, G.H, Cho, Y.
登録日2014-06-24
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Ankyrin Repeat Domain of AKR2 Drives Chloroplast Targeting through Coincident Binding of Two Chloroplast Lipids.
Dev.Cell, 30, 2014
4U02
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BU of 4u02 by Molmil
Crystal structure of apo-TTHA1159
分子名称: Amino acid ABC transporter, ATP-binding protein, SULFATE ION
著者Karthiga Devi, S, Chichili, V.P.R, Velmurugan, D, Sivaraman, J.
登録日2014-07-11
公開日2015-05-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural basis for the hydrolysis of ATP by a nucleotide binding subunit of an amino acid ABC transporter from Thermus thermophilus
J.Struct.Biol., 190, 2015
6OIL
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BU of 6oil by Molmil
Crystal structure of human VISTA extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, V-type immunoglobulin domain-containing suppressor of T-cell activation
著者Mehta, N, Cochran, J.R, Mathews, I.I.
登録日2019-04-09
公開日2019-09-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and Functional Binding Epitope of V-domain Ig Suppressor of T Cell Activation.
Cell Rep, 28, 2019
4TUY
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BU of 4tuy by Molmil
Tubulin-Rhizoxin complex
分子名称: (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
登録日2014-06-25
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
7NCB
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BU of 7ncb by Molmil
Glutathione-S-transferase GliG mutant H26A
分子名称: Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TVT
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BU of 4tvt by Molmil
New ligand for thaumatin discovered using acoustic high throughput screening
分子名称: ASCORBIC ACID, L(+)-TARTARIC ACID, SODIUM ION, ...
著者Teplitsky, E, Joshi, K, Ericson, D.L, Scalia, A, Mullen, J.D, Sweet, R.M, Soares, A.S.
登録日2014-06-28
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
7NC9
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BU of 7nc9 by Molmil
Glutathione-S-transferase GliG mutant H26N
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCM
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BU of 7ncm by Molmil
Glutathione-S-transferase GliG mutant E82A
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TVY
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BU of 4tvy by Molmil
Apo resorufin ligase
分子名称: 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide, Lipoate-protein ligase A
著者Goldman, P.J, Drennan, C.L.
登録日2014-06-28
公開日2014-10-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
7NCU
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BU of 7ncu by Molmil
Glutathione-S-transferase GliG mutant K127G in complex with oxidized glutathione
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG, OXIDIZED GLUTATHIONE DISULFIDE
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCT
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BU of 7nct by Molmil
Glutathione-S-transferase GliG mutant K127G
分子名称: Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021

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