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1BT3
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BU of 1bt3 by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE NATIVE CU(II)-CU(II) STATE
分子名称: CU-O-CU LINKAGE, PROTEIN (CATECHOL OXIDASE)
著者Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
登録日1998-09-02
公開日1999-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
1BUG
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BU of 1bug by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES)-INHIBITOR COMPLEX WITH PHENYLTHIOUREA (PTU)
分子名称: COPPER (II) ION, N-PHENYLTHIOUREA, PROTEIN (CATECHOL OXIDASE)
著者Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
登録日1998-09-03
公開日1999-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
1COZ
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BU of 1coz by Molmil
CTP:GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE FROM BACILLUS SUBTILIS
分子名称: CYTIDINE-5'-TRIPHOSPHATE, PROTEIN (GLYCEROL-3-PHOSPHATE CYTIDYLYLTRANSFERASE)
著者Weber, C.H, Park, Y.S, Sanker, S, Kent, C, Ludwig, M.L.
登録日1999-05-29
公開日1999-10-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A prototypical cytidylyltransferase: CTP:glycerol-3-phosphate cytidylyltransferase from bacillus subtilis.
Structure Fold.Des., 7, 1999
1BT1
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BU of 1bt1 by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE NATIVE CU(II)-CU(II) STATE
分子名称: CU-O-CU LINKAGE, PROTEIN (CATECHOL OXIDASE)
著者Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
登録日1998-09-02
公開日1999-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
1BT2
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BU of 1bt2 by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE REDUCED CU(I)-CU(I) STATE
分子名称: CU-O-CU LINKAGE, PROTEIN (CATECHOL OXIDASE)
著者Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
登録日1998-09-02
公開日1999-09-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
1Z41
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BU of 1z41 by Molmil
Crystal structure of oxidized YqjM from Bacillus subtilis
分子名称: FLAVIN MONONUCLEOTIDE, Probable NADH-dependent flavin oxidoreductase yqjM, SULFATE ION
著者Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T.
登録日2005-03-15
公開日2005-05-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
J.Biol.Chem., 280, 2005
1Z48
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BU of 1z48 by Molmil
Crystal structure of reduced YqjM from Bacillus subtilis
分子名称: FLAVIN MONONUCLEOTIDE, Probable NADH-dependent flavin oxidoreductase yqjM
著者Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T.
登録日2005-03-15
公開日2005-05-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
J.Biol.Chem., 280, 2005
1Z42
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Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-hydroxybenzaldehyde
分子名称: FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZALDEHYDE, Probable NADH-dependent flavin oxidoreductase yqjM, ...
著者Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T.
登録日2005-03-15
公開日2005-05-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
J.Biol.Chem., 280, 2005
2LBH
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BU of 2lbh by Molmil
Solution Structure of the Dimeric Form of a Unliganded Bovine Neurophysin, Minimized Average Structure
分子名称: Neurophysin 1
著者Lee, H, Naik, M, Nguyen, T, Bracken, C, Breslow, E.
登録日2011-03-31
公開日2012-04-04
実験手法SOLUTION NMR
主引用文献Structural Basis of the Dimerization-Induced Increase in Neurophysin-Hormone Affinity: Interplay of Inter-Domain and Inter-Subunit Interactions
To be Published
2LBN
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BU of 2lbn by Molmil
(Revised) Solution structure of the monomeric form of a mutant unliganded bovine neurophysin, 20 structures
分子名称: Neurophysin 1
著者Lee, H, Nguyen, T, Bracken, C, Breslow, E.
登録日2011-04-01
公開日2012-04-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Basis of the Dimerization-Induced Increase in Neurophysin-Hormone Affinity: Interplay of Inter-Domain and Inter-Subunit Interactions
To be Published
2NMM
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BU of 2nmm by Molmil
Crystal structure of human phosphohistidine phosphatase. Northeast Structural Genomics Consortium target HR1409
分子名称: 14 kDa phosphohistidine phosphatase, SULFATE ION
著者Kuzin, A.P, Abashidze, M, Forouhar, F, Seetharaman, J, Kent, C, Fang, Y, Cunningham, K, Conover, K, Ma, L.C, Xiao, R, Acton, T, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-10-22
公開日2007-01-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human phosphohistidine phosphatase. Northeast Structural Genomics Consortium target HR1409
To be Published
5NPT
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BU of 5npt by Molmil
Structure of the N-terminal domain of the yeast telomerase reverse transcriptase
分子名称: Telomerase reverse transcriptase
著者Rodina, E.V, Lebedev, A.A, Hakanpaa, J, Hackenberg, C, Petrova, O.A, Zvereva, M.I, Dontsova, O.A, Lamzin, V.S.
登録日2017-04-18
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and function of the N-terminal domain of the yeast telomerase reverse transcriptase.
Nucleic Acids Res., 46, 2018
6HON
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BU of 6hon by Molmil
Drosophila NOT4 CBM peptide bound to human CAF40
分子名称: CCR4-NOT transcription complex subunit 4, isoform L, CCR4-NOT transcription complex subunit 9, ...
著者Raisch, T, Izaurralde, E, Weichenrieder, O.
登録日2018-09-17
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A conserved CAF40-binding motif in metazoan NOT4 mediates association with the CCR4-NOT complex.
Genes Dev., 33, 2019
6HOM
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BU of 6hom by Molmil
Drosophila NOT4 CBM peptide bound to human CAF40
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CCR4-NOT transcription complex subunit 4, isoform L, ...
著者Raisch, T, Izaurralde, E, Weichenrieder, O.
登録日2018-09-17
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A conserved CAF40-binding motif in metazoan NOT4 mediates association with the CCR4-NOT complex.
Genes Dev., 33, 2019
6CHZ
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BU of 6chz by Molmil
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
分子名称: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor
著者Larsen, N.A.
登録日2018-02-23
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
5VB6
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BU of 5vb6 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
分子名称: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
7ASL
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BU of 7asl by Molmil
HIV-1 Gag immature lattice. GagSP1T8I
分子名称: Gag protein
著者Mendonca, L, Zhang, P.
登録日2020-10-27
公開日2021-06-23
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献CryoET structures of immature HIV Gag reveal six-helix bundle.
Commun Biol, 4, 2021
7ASH
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BU of 7ash by Molmil
HIV-1 Gag immature lattice. GagdeltaMASP1T8I
分子名称: Gag protein
著者Mendonca, L, Zhang, P.
登録日2020-10-27
公開日2021-06-23
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献CryoET structures of immature HIV Gag reveal six-helix bundle.
Commun Biol, 4, 2021
4RX0
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BU of 4rx0 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2014-12-08
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
5VND
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BU of 5vnd by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ...
著者Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A.
登録日2017-04-30
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
4LWD
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BU of 4lwd by Molmil
Human CARMA1 CARD domain
分子名称: Caspase recruitment domain-containing protein 11, MAGNESIUM ION, SULFATE ION
著者Zheng, C, Wu, H.
登録日2013-07-26
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013
6T28
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BU of 6t28 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640)
分子名称: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-08
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
7M7V
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BU of 7m7v by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6
分子名称: 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13
著者Aggarwal, A, Sacchettini, J.C.
登録日2021-03-29
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.
J.Med.Chem., 65, 2022
6T29
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BU of 6t29 by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587)
分子名称: 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-08
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.484 Å)
主引用文献Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model.
J.Med.Chem., 63, 2020
3U67
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BU of 3u67 by Molmil
Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ...
著者Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2011-10-12
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013

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