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5AHR
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BU of 5ahr by Molmil
Crystal structure of human DNA cross-link repair 1A, crystal form B
分子名称: 1,2-ETHANEDIOL, DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION
著者Allerston, C.K, Newman, J.A, Vollmar, M, Goubin, S, Forese, D.S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2015-02-06
公開日2015-02-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Structures of the Snm1A and Snm1B/Apollo Nuclease Domains Reveal a Potential Basis for Their Distinct DNA Processing Activities.
Nucleic Acids Res., 43, 2015
7GYO
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BU of 7gyo by Molmil
Crystal Structure of HSP72 in complex with ligand 11 at 8.58 MGy X-ray dose
分子名称: 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, 8-chloroadenosine, ...
著者Cabry, M, Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
登録日2024-01-12
公開日2024-12-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
3HHU
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BU of 3hhu by Molmil
Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819}
分子名称: Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate
著者Adler, M, Whitlow, M.
登録日2009-05-17
公開日2009-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
7GYT
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BU of 7gyt by Molmil
Crystal Structure of HSP72 in complex with ligand 11 at 15.73 MGy X-ray dose
分子名称: 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, 8-chloroadenosine, ...
著者Cabry, M, Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
登録日2024-01-12
公開日2024-12-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
3ECF
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BU of 3ecf by Molmil
Crystal structure of an ntf2-like protein (ava_4193) from anabaena variabilis atcc 29413 at 1.90 A resolution
分子名称: NTF2-like Protein, SULFATE ION, UNKNOWN LIGAND
著者Joint Center for Structural Genomics (JCSG)
登録日2008-08-29
公開日2008-09-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of NTF2-like Protein (YP_324687.1) from ANABAENA VARIABILIS ATCC 29413 at 1.90 A resolution
To be published
7GYM
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BU of 7gym by Molmil
Crystal Structure of HSP72 in complex with ligand 11 at 5.72 MGy X-ray dose
分子名称: 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, 8-chloroadenosine, ...
著者Cabry, M, Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M.
登録日2024-01-12
公開日2024-12-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures.
J.Appl.Crystallogr., 57, 2024
7D9Z
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BU of 7d9z by Molmil
Crystal structure of anti-basigin Fab fragment
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Heavy chain of antibody Fab fragment, ...
著者Sakuragi, T, Kanai, R, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Toyoshima, C, Nagata, S.
登録日2020-10-14
公開日2021-10-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.123 Å)
主引用文献The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes.
Nat.Struct.Mol.Biol., 28, 2021
3P0Y
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BU of 3p0y by Molmil
anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
著者Eigenbrot, C, Shia, S.
登録日2010-09-29
公開日2011-10-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
2WZ7
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BU of 2wz7 by Molmil
Crystal structure of the N-terminal domain of E.coli YbgF
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Krachler, A.M, Sharma, A, Kleanthous, C.
登録日2009-11-24
公開日2010-09-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Tola Modulates the Oligomeric Status of Ybgf in the Bacterial Periplasm.
J.Mol.Biol., 403, 2010
2WOU
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BU of 2wou by Molmil
ALK5 IN COMPLEX WITH 4-((4-((2,6-dimethyl-3-pyridyl)oxy)-2-pyridyl) amino)benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE, TGF-BETA RECEPTOR TYPE-1
著者Debreczeni, J.E, Norman, R.A, Goldberg, F.W, Ward, R.A, Finlay, R, Powell, S.J, Roberts, N.J, Dishington, A.P, Gingell, H.J, Wickson, K.F, Roberts, A.L.
登録日2009-07-28
公開日2009-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52, 2009
2WOT
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BU of 2wot by Molmil
ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
分子名称: 1,2-ETHANEDIOL, 4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE, TGF-BETA RECEPTOR TYPE-1
著者Norman, R.A, Debreczeni, J.E, Goldberg, F.W, Ward, R.A, Finlay, R, Powell, S.J, Roberts, N.J, Dishington, A.P, Gingell, H.J, Wickson, K.F, Roberts, A.L.
登録日2009-07-28
公開日2009-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52, 2009
1UQY
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BU of 1uqy by Molmil
Xylanase Xyn10B mutant (E262S) from Cellvibrio mixtus in complex with xylopentaose
分子名称: ENDOXYLANASE, MAGNESIUM ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose, ...
著者Pell, G, Taylor, E.J, Gloster, T.M, Turkenburg, J.P, Fontes, C.M.G.A, Ferreira, L.M.A, Davies, G.J, Gilbert, H.J.
登録日2003-10-23
公開日2003-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The Mechanisms by which Family 10 Glycoside Hydrolases Bind Decorated Substrates
J.Biol.Chem., 279, 2004
5AOH
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BU of 5aoh by Molmil
Crystal Structure of CarF
分子名称: POTASSIUM ION, Spore coat protein CotH
著者Tichy, E.M, Hardwick, S.W, Luisi, B.F, C Salmond, G.P.
登録日2015-09-10
公開日2017-01-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 angstrom resolution crystal structure of the carbapenem intrinsic resistance protein CarF.
Acta Crystallogr D Struct Biol, 73, 2017
4PB1
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BU of 4pb1 by Molmil
Structure of vcCNT-7C8C bound to ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-11
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
1ZPC
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BU of 1zpc by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
分子名称: 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION
著者Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-05-16
公開日2006-04-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1J10
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BU of 1j10 by Molmil
beta-amylase from Bacillus cereus var. mycoides in complex with GGX
分子名称: Beta-amylase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-xylopyranose, ...
著者Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y.
登録日2002-11-25
公開日2003-06-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents
J.BIOCHEM.(TOKYO), 133, 2003
5O3I
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BU of 5o3i by Molmil
Human Brd2(BD2) mutant in complex with AL-tBu
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
3EJJ
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BU of 3ejj by Molmil
Structure of M-CSF bound to the first three domains of FMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Colony stimulating factor-1, Macrophage colony-stimulating factor 1 receptor
著者Chen, X, Liu, H, Focia, P.J, Shim, A, He, X.
登録日2008-09-18
公開日2008-12-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of macrophage colony stimulating factor bound to FMS: diverse signaling assemblies of class III receptor tyrosine kinases.
Proc.Natl.Acad.Sci.USA, 105, 2008
9DOK
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BU of 9dok by Molmil
Cryo-EM structure of LptB2FG apo-II
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ...
著者Su, C.C.
登録日2024-09-19
公開日2025-11-19
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural snapshots of Pseudomonas aeruginosa LptB2FG and LptB2FGC reveal insights into lipopolysaccharide recognition and transport
To Be Published
9DOQ
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BU of 9doq by Molmil
Cryo-EM structure of LptB2FGC apo-I
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Lipopolysaccharide export system ATP-binding protein LptB, Lipopolysaccharide export system permease protein LptF, ...
著者Su, C.C.
登録日2024-09-19
公開日2025-11-19
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural snapshots of Pseudomonas aeruginosa LptB2FG and LptB2FGC reveal insights into lipopolysaccharide recognition and transport
To Be Published
3HLV
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BU of 3hlv by Molmil
Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one
分子名称: (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L.
登録日2009-05-28
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human alphaER-LBD in complex with GRIP peptide and 16alpha-hydroxyestrone
To be Published
6JT8
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BU of 6jt8 by Molmil
Crystal structure of 450-451_deletion mutant of FGAM Synthetase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R.
登録日2019-04-10
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation.
Sci Adv, 6, 2020
1MZF
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BU of 1mzf by Molmil
Human Factor inhibiting HIF (FIH1) in Complex with 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, factor inhibiting HIF1
著者Dann III, C.E, Bruick, R.K, Deisenhofer, J.
登録日2002-10-07
公開日2002-11-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Factor-Inhibiting Hypoxia-Inducible Factor 1: An Asparaginyl Hydroxylase Involved in the Hypoxic Response Pathway.
Proc.Natl.Acad.Sci.USA, 99, 2002
5X39
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BU of 5x39 by Molmil
Solution structure of the Family 1 carbohydrate-binding module Q2A mutant with mannosylated Ser3
分子名称: Exoglucanase 1, alpha-D-mannopyranose
著者Feng, Y, Tan, Z.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Structural Insight into the Stabilizing Effect of O-Glycosylation
Biochemistry, 56, 2017
3EQI
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BU of 3eqi by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ADP and MG2P
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009

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