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7CND
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NCI-1 in complex with CRM1-Ran-RanBP1
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
著者Sun, Q, Lei, Y.
登録日2020-07-31
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
9INR
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BU of 9inr by Molmil
Crystal structure of PIN1 in complex with inhibitor C3
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
著者Zhang, L.J, Zhang, L.Y.
登録日2024-07-08
公開日2024-09-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
4H1O
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BU of 4h1o by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
分子名称: 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-11
公開日2013-09-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
2ZU6
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BU of 2zu6 by Molmil
crystal structure of the eIF4A-PDCD4 complex
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Eukaryotic initiation factor 4A-I, ...
著者Cho, Y, Chang, J.H, Sohn, S.Y.
登録日2008-10-13
公開日2009-02-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the eIF4A-PDCD4 complex
Proc.Natl.Acad.Sci.Usa, 106, 2009
7C4S
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BU of 7c4s by Molmil
Sphingosine-1-phosphate receptor 3 with a natural ligand.
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
著者Iwata, S, Maeda, S, Luo, F, Nango, E, hirata, K, Asada, H.
登録日2020-05-18
公開日2021-06-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Endogenous agonist-bound S1PR3 structure reveals determinants of G protein-subtype bias.
Sci Adv, 7, 2021
9FMD
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BU of 9fmd by Molmil
Integrative model of the human post-catalytic spliceosome (P-complex)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ...
著者Rothe, P, Plaschka, C, Vorlaender, M.K.
登録日2024-06-05
公開日2024-07-10
最終更新日2024-12-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanism for the initiation of spliceosome disassembly.
Nature, 632, 2024
7NWL
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BU of 7nwl by Molmil
Cryo-EM structure of human integrin alpha5beta1 (open form) in complex with fibronectin and TS2/16 Fv-clasp
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-5, ...
著者Schumacher, S, Dedden, D, Vazquez Nunez, R, Matoba, K, Takagi, J, Biertumpfel, C, Mizuno, N.
登録日2021-03-17
公開日2021-06-02
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into integrin alpha 5 beta 1 opening by fibronectin ligand.
Sci Adv, 7, 2021
1VM9
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The X-ray Structure of the cys84ala cys85ala double mutant of the [2Fe-2S] Ferredoxin subunit of Toluene-4-Monooxygenase from Pseudomonas Mendocina KR1
分子名称: 1,2-ETHANEDIOL, FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, ...
著者Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bingman, C.A, Allard, S.T.M, Moe, L.A, Fox, B.G, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-09-13
公開日2004-09-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure of T4moC, the Rieske-type ferredoxin component of toluene 4-monooxygenase.
Acta Crystallogr.,Sect.D, 62, 2006
5O9Q
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BU of 5o9q by Molmil
Crystal structure of ScGas2 in complex with compound 6
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
登録日2017-06-20
公開日2018-05-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
6JAN
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BU of 6jan by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R356A in complex with maltose
分子名称: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
著者Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
登録日2019-01-24
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
2OL1
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BU of 2ol1 by Molmil
High Resolution Crystal Structures of Vaccinia Virus dUTPase
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, ...
著者Schormann, N, Chattopadhyay, D.
登録日2007-01-18
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of vaccinia virus dUTPase and its nucleotide complexes.
Acta Crystallogr.,Sect.D, 63, 2007
4AT4
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BU of 4at4 by Molmil
CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429
分子名称: 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR
著者Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M.
登録日2012-05-03
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
6D0Y
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BU of 6d0y by Molmil
X-ray Crystal Structure of PGC-1beta C-terminus bound to the CBP80-CBP20 Cap Binding Complex
分子名称: MAGNESIUM ION, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ...
著者Gleghorn, M.L, Maquat, L.E.
登録日2018-04-11
公開日2018-04-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.676 Å)
主引用文献Transcriptional coactivator PGC-1 alpha contains a novel CBP80-binding motif that orchestrates efficient target gene expression.
Genes Dev., 32, 2018
6D1D
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BU of 6d1d by Molmil
Crystal structure of NDM-1 complexed with compound 6
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1I
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BU of 6d1i by Molmil
Crystal structure of NDM-1 complexed with compound 12
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
1VRP
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BU of 1vrp by Molmil
The 2.1 Structure of T. californica Creatine Kinase Complexed with the Transition-State Analogue Complex, ADP-Mg 2+ /NO3-/Creatine
分子名称: (DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Creatine Kinase, ...
著者Lahiri, S.D, Wang, P.F, Babbitt, P.C, McLeish, M.J, Kenyon, G.L, Allen, K.N.
登録日2005-04-25
公開日2005-05-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The 2.1 A Structure of Torpedo californica Creatine Kinase Complexed with the ADP-Mg(2+)-NO3(-)-Creatine Transition-State Analogue Complex
Biochemistry, 41, 2002
4AZF
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BU of 4azf by Molmil
Human DYRK2 in complex with Leucettine L41
分子名称: 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ...
著者Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S.
登録日2012-06-25
公開日2012-09-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
7G1R
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BU of 7g1r by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1(=C(C=CS1)C(=O)OCC)NC(=O)C1=C(C(=O)O)CCC1 with IC50=1.4 microM
分子名称: 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
7FXC
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BU of 7fxc by Molmil
Crystal Structure of human FABP4 in complex with 6-[(3,4-dichlorophenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one, i.e. SMILES N1(Cc2cc(c(cc2)Cl)Cl)S(=O)(=O)NC(=O)C=C1C with IC50=0.945 microM
分子名称: 6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazine-1,1,3(2H,6H)-trione, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Albrecht-Harry, A, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
4HN0
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BU of 4hn0 by Molmil
Crystal Structure of ChmJ, a 3'-monoepimerase apoenzyme from Streptomyces bikiniensis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative 3-epimerase in D-allose pathway
著者Holden, H.M, Kubiak, R.L.
登録日2012-10-18
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Studies on a 3'-Epimerase Involved in the Biosynthesis of dTDP-6-deoxy-d-allose.
Biochemistry, 51, 2012
6V74
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BU of 6v74 by Molmil
Crystal Structure of Human PKM2 in Complex with L-asparagine
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ASPARAGINE, CHLORIDE ION, ...
著者Nandi, S, Dey, M.
登録日2019-12-07
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Biochemical and structural insights into how amino acids regulate pyruvate kinase muscle isoform 2.
J.Biol.Chem., 295, 2020
4HU1
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BU of 4hu1 by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor.
分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2012-11-02
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
6M5M
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BU of 6m5m by Molmil
SPL-1 - GlcNAc complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetylglucosamine-specific lectin
著者Unno, H, Hatakeyama, T.
登録日2020-03-11
公開日2020-06-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel carbohydrate-recognition mode of the invertebrate C-type lectin SPL-1 from Saxidomus purpuratus revealed by the GlcNAc-complex crystal in the presence of Ca2.
Acta Crystallogr.,Sect.F, 76, 2020
7YPZ
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BU of 7ypz by Molmil
Zafirlukast in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2022-08-05
公開日2023-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
7Y5W
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Cryo-EM structure of the left-handed Di-tetrasome
分子名称: Histone H3.1, Histone H4, Widom 601 DNA (147-MER)
著者Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M.
登録日2022-06-17
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023

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