6H57
 
 | | Crystal structure of S. cerevisiae DEAH-box RNA helicase Dhr1, essential for small ribosomal subunit biogenesis | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Roychowdhury, A, Graille, M. | | 登録日 | 2018-07-24 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The DEAH-box RNA helicase Dhr1 contains a remarkable carboxyl terminal domain essential for small ribosomal subunit biogenesis.
Nucleic Acids Res., 47, 2019
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1CCV
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6G8R
 | | SP140 PHD-Bromodomain complex with scFv | | 分子名称: | 1,2-ETHANEDIOL, Nuclear body protein SP140, ZINC ION, ... | | 著者 | Fairhead, M, Graslund, S, Strain-Damerell, C, Picaud, S.S, Pike, A.C.W, Pinkas, D.M, Wigren, E, Preger, C, Persson Lotsholm, H, Ossipova, E, Filippakopoulos, P, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2018-04-09 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | SP140 PHD-Bromodomain complex with scFv
To Be Published
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6SL8
 | | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its substrate L-2,4-diaminobutyric acid (DAB) | | 分子名称: | 2,4-DIAMINOBUTYRIC ACID, GLYCEROL, L-2,4-diaminobutyric acid acetyltransferase, ... | | 著者 | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | | 登録日 | 2019-08-19 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
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3LCO
 | | Inhibitor Bound to A DFG-Out structure of the Kinase Domain of CSF-1R | | 分子名称: | 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine, Macrophage colony-stimulating factor 1 receptor | | 著者 | Kamtekar, S, Day, J.E, Reitz, B.A, Mathis, K.J, Meyers, M.J. | | 登録日 | 2010-01-11 | | 公開日 | 2010-09-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
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3LXE
 | | Human Carbonic Anhydrase I in complex with topiramate | | 分子名称: | Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | | 著者 | Alterio, V, De Simone, G, Monti, S.M, Truppo, E. | | 登録日 | 2010-02-25 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex.
Org.Biomol.Chem., 2010
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2RCZ
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5TXZ
 | | DNA Polymerase Mu Reactant Complex, 100mM Mg2+ (15 min) | | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2016-11-17 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
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4YW5
 | | Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate | | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | 登録日 | 2015-03-20 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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2RFE
 | | Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide | | 分子名称: | ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor | | 著者 | Zhang, X, Pickin, K.A, Bose, R, Jura, N, Cole, P.A, Kuriyan, J. | | 登録日 | 2007-09-28 | | 公開日 | 2007-12-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Inhibition of the EGF receptor by binding of MIG6 to an activating kinase domain interface.
Nature, 450, 2007
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4Y43
 | | Endothiapepsin in complex with fragment 42 | | 分子名称: | (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | 登録日 | 2015-02-10 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5JT0
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+ | | 分子名称: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, Glucosyl-3-phosphoglycerate synthase, ... | | 著者 | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | | 登録日 | 2016-05-09 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
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5U6J
 | | Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide | | 分子名称: | 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide, CALCIUM ION, Coagulation factor VII Heavy Chain, ... | | 著者 | Wei, A. | | 登録日 | 2016-12-08 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Neutral macrocyclic factor VIIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5CZ8
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5D0Z
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2VFO
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125L | | 分子名称: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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2VM0
 | | Crystal structure of radiation-induced myoglobin compound II generated after annealing of peroxymyoglobin | | 分子名称: | GLYCEROL, HYDROGEN PEROXIDE, HYDROXIDE ION, ... | | 著者 | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | 登録日 | 2008-01-20 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Crystal Structure of Peroxymyoglobin Generated Through Cryoradiolytic Reduction of Myoglobin Compound III During Data Collection.
Biochem.J., 412, 2008
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2VJY
 | | Pyruvate decarboxylase from Kluyveromyces lactis in complex with the substrate analogue methyl acetylphosphonate | | 分子名称: | MAGNESIUM ION, METHYL HYDROGEN (S)-ACETYLPHOSPHONATE, PYRUVATE DECARBOXYLASE, ... | | 著者 | Kutter, S, Wille, G, Weiss, M.S, Konig, S. | | 登録日 | 2007-12-14 | | 公開日 | 2009-01-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Covalently Bound Substrate at the Regulatory Site of Yeast Pyruvate Decarboxylases Triggers Allosteric Enzyme Activation.
J.Biol.Chem., 284, 2009
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6ANS
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1XMN
 | | Crystal structure of thrombin bound to heparin | | 分子名称: | 2-acetamido-2-deoxy-alpha-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, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ... | | 著者 | Carter, W.J, Cama, E, Huntington, J.A. | | 登録日 | 2004-10-04 | | 公開日 | 2004-11-23 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of thrombin bound to heparin
J.Biol.Chem., 280, 2005
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2VM6
 | | Human Bcl2-A1 in complex with Bim-BH3 peptide | | 分子名称: | BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION | | 著者 | Herman, M.D, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2008-01-23 | | 公開日 | 2008-02-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim.
FEBS Lett., 582, 2008
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5IJG
 | | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution | | 分子名称: | Cys/Met metabolism pyridoxal-phosphate-dependent enzyme, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Boyko, K.M, Nikolaeva, A.Y, Koolikova, V.V, Kotlov, M.I, Demidkina, T.V, Popov, V.O. | | 登録日 | 2016-03-02 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution
To Be Published
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6N64
 | | Crystal structure of mouse SMCHD1 hinge domain | | 分子名称: | Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1 | | 著者 | Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M. | | 登録日 | 2018-11-25 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
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5VUB
 | | Pim1 Kinase in complex with a benzofuranone inhibitor | | 分子名称: | (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | 著者 | Parker, L.J. | | 登録日 | 2017-05-18 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach
J Chem Inf Model, 57, 2017
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6G0O
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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