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5IHC
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MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
4YE4
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BU of 4ye4 by Molmil
Crystal Structure of Neutralizing Antibody HJ16 in Complex with HIV-1 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HT593.1 gp120, Heavy chain human antibody HJ16, ...
著者Kwong, P.D, Chen, L, Zhou, T.
登録日2015-02-23
公開日2015-07-22
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
4YJQ
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BU of 4yjq by Molmil
SYK kinase domain in complex with inhibitor GTC000224
分子名称: 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJR
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BU of 4yjr by Molmil
SYK kinase domain in complex with inhibitor GTC000225
分子名称: 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
1TZB
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BU of 1tzb by Molmil
Crystal structure of native phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum
分子名称: GLYCEROL, SULFATE ION, glucose-6-phosphate isomerase, ...
著者Swan, M.K, Hansen, T, Schoenheit, P, Davies, C.
登録日2004-07-09
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献A novel phosphoglucose/phosphomannose isomease from the crenarchaeon Pyrobaculum aerophilum is a member of the PGI superfamily: structural evidence at 1.16 A resolution
J.Biol.Chem., 279, 2004
4YX5
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SpaO(SPOA1,2)
分子名称: CHLORIDE ION, Surface presentation of antigens protein SpaO
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-22
公開日2015-06-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9001 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
1PUD
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BU of 1pud by Molmil
TRNA-GUANINE TRANSGLYCOSYLASE
分子名称: TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Romier, C, Reuter, K, Suck, D, Ficner, R.
登録日1996-06-28
公開日1997-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of tRNA-guanine transglycosylase: RNA modification by base exchange.
EMBO J., 15, 1996
4E05
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BU of 4e05 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
著者Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2012-03-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E06
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BU of 4e06 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
著者Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2012-03-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
3NM8
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Crystal structure of Tyrosinase from Bacillus megaterium
分子名称: CHLORIDE ION, COPPER (II) ION, Tyrosinase, ...
著者Sendovski, M, Kanteev, M, Adir, N, Fishman, A.
登録日2010-06-22
公開日2010-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献First structures of an active bacterial tyrosinase reveal copper plasticity
J.Mol.Biol., 405, 2011
4PY4
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BU of 4py4 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2
分子名称: 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide, Poly [ADP-ribose] polymerase 14
著者Li, J, Xu, Y.
登録日2014-03-26
公開日2015-04-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Tetrahedron, 70, 2017
5A8D
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BU of 5a8d by Molmil
The high resolution structure of a novel alpha-L-arabinofuranosidase (CtGH43) from Clostridium thermocellum ATCC 27405
分子名称: ACETATE ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
著者Goyal, A, Ahmed, S, Sharma, K, Fontes, C.M.G.A, Najmudin, S.
登録日2015-07-14
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular determinants of substrate specificity revealed by the structure of Clostridium thermocellum arabinofuranosidase 43A from glycosyl hydrolase family 43 subfamily 16.
Acta Crystallogr D Struct Biol, 72, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
分子名称: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
分子名称: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
著者Sprague, E.R, Puleo, D.E.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
2WDC
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BU of 2wdc by Molmil
Termus thermophilus Sulfate thiohydrolase SoxB in complex with glycerol
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C.
登録日2009-03-24
公開日2009-06-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb.
J.Biol.Chem., 284, 2009
4E6S
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BU of 4e6s by Molmil
Crystal structure of the SCAN domain from mouse Zfp206
分子名称: Zinc finger and SCAN domain-containing protein 10
著者Liang, Y, Choo, S.H, Rossbach, M, Baburajendran, N, Palasingam, P, Kolatkar, P.R.
登録日2012-03-15
公開日2012-05-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206.
Acta Crystallogr.,Sect.F, 68, 2012
4X62
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BU of 4x62 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
登録日2014-12-06
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.4492 Å)
主引用文献N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
4X65
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BU of 4x65 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
登録日2014-12-06
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.345 Å)
主引用文献N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
6ESQ
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BU of 6esq by Molmil
Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA
分子名称: CHLORIDE ION, COENZYME A, HydroxyMethylGlutaryl-CoA synthase, ...
著者Voegeli, B, Engilberge, S, Girard, E, Riobe, F, Maury, O, Erb, J.T, Shima, S, Wagner, T.
登録日2017-10-24
公開日2018-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4XDK
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BU of 4xdk by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine
分子名称: (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
4EQ5
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BU of 4eq5 by Molmil
DNA ligase from the archaeon Thermococcus sibiricus
分子名称: ADENOSINE MONOPHOSPHATE, DNA ligase
著者Petrova, T, Bezsudnova, E.Y, Dorokhov, B.D, Slutskaya, E.S, Polyakov, K.M, Dorovatovskiy, P.V, Ravin, N.V, Skryabin, K.G, Kovalchuk, M.V, Popov, V.O.
登録日2012-04-18
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Expression, purification, crystallization and preliminary crystallographic analysis of a thermostable DNA ligase from the archaeon Thermococcus sibiricus.
Acta Crystallogr.,Sect.F, 68, 2012
3N0H
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BU of 3n0h by Molmil
hDHFR double mutant Q35S/N64F Trimethoprim Binary Complex
分子名称: Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM
著者Cody, V.
登録日2010-05-14
公開日2011-09-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystallographic analysis reveals a novel second binding site for trimethoprim in active site double mutants of human dihydrofolate reductase.
J.Struct.Biol., 176, 2011
5G2O
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BU of 5g2o by Molmil
Yersinia pestis FabV variant T276A
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-11
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
5ISY
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BU of 5isy by Molmil
Crystal structure of Nudix family protein with NAD
分子名称: NADH pyrophosphatase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Zhang, D, Guan, Z, Zou, T, Yin, P.
登録日2016-03-15
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structural basis of prokaryotic NAD-RNA decapping by NudC
Cell Res., 26, 2016
3N25
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The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Fenton, A.W, Johnson, T.A, Holyoak, T.
登録日2010-05-17
公開日2010-07-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery.
Protein Sci., 19, 2010

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件を2024-08-07に公開中

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