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7VRO
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crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, SULFATE ION, THEOBROMINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
4WNO
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BU of 4wno by Molmil
Structure of ULK1 bound to an inhibitor
分子名称: N~2~-(4-aminophenyl)-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine, Serine/threonine-protein kinase ULK1
著者Lazarus, M.B, Novotny, C.J, Shokat, K.M.
登録日2014-10-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structure of the Human Autophagy Initiating Kinase ULK1 in Complex with Potent Inhibitors.
Acs Chem.Biol., 10, 2015
6Y5U
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BU of 6y5u by Molmil
MenT3 (aka TglT), nucleotidyltransferase toxin Rv1045 from Mycobacterium tuberculosis
分子名称: Rv1045
著者Blower, T.R, Usher, B.
登録日2020-02-25
公開日2020-09-16
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A nucleotidyltransferase toxin inhibits growth of Mycobacterium tuberculosis through inactivation of tRNA acceptor stems.
Sci Adv, 6, 2020
7T19
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BU of 7t19 by Molmil
Rev1 Ternary Complex with dGTP and Ca2+
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ...
著者Freudenthal, B.D, Weaver, T.M.
登録日2021-12-01
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1.
Nat Commun, 13, 2022
6EZ4
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BU of 6ez4 by Molmil
NMR structure of the C-terminal domain of the human RPAP3 protein
分子名称: RNA polymerase II-associated protein 3
著者Fabre, P, Chagot, M.E, Bragantini, B, Manival, X, Quinternet, M.
登録日2017-11-14
公開日2018-04-18
最終更新日2024-01-17
実験手法SOLUTION NMR
主引用文献The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones.
Nat Commun, 9, 2018
7T1B
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BU of 7t1b by Molmil
Rev1 Ternary Complex with rCTP and Ca2+
分子名称: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ...
著者Freudenthal, B.D, Weaver, T.M.
登録日2021-12-01
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1.
Nat Commun, 13, 2022
5EP1
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BU of 5ep1 by Molmil
Quorum-Sensing Signal Integrator LuxO - Catalytic Domain
分子名称: ACETATE ION, Putative repressor protein luxO
著者Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
登録日2015-11-11
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
7T9F
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BU of 7t9f by Molmil
Structure of VcINDY-apo
分子名称: DASS family sodium-coupled anion symporter
著者Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N.
登録日2021-12-19
公開日2022-05-25
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY.
Nat Commun, 13, 2022
7SQY
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BU of 7sqy by Molmil
CSDaV GFP mutant
分子名称: Citrus Sudden Death-associated Virus Capsid Protein,Green fluorescent protein,Citrus Sudden Death-associated Virus Capsid Protein
著者Guo, F, Matsumura, E.E, Falk, B.W.
登録日2021-11-07
公開日2022-05-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Citrus sudden death-associated virus as a new expression vector for rapid in planta production of heterologous proteins, chimeric virions, and virus-like particles.
Biotechnol Rep., 35, 2022
6M88
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BU of 6m88 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
7T9G
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BU of 7t9g by Molmil
Structure of VcINDY-Na+
分子名称: DASS family sodium-coupled anion symporter, SODIUM ION
著者Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N.
登録日2021-12-19
公開日2022-05-25
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY.
Nat Commun, 13, 2022
7VRZ
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BU of 7vrz by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, Doxofylline, SULFATE ION
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-25
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
1BFN
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BU of 1bfn by Molmil
BETA-AMYLASE/BETA-CYCLODEXTRIN COMPLEX
分子名称: BETA-AMYLASE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), SULFATE ION
著者Adachi, M, Mikami, B, Katsube, T, Utsumi, S.
登録日1998-05-22
公開日1998-10-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of recombinant soybean beta-amylase complexed with beta-cyclodextrin.
J.Biol.Chem., 273, 1998
4PX1
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BU of 4px1 by Molmil
CRYSTAL STRUCTURE OF Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE (TARGET EFI-507068)
分子名称: CHLORIDE ION, MALONIC ACID, Maleylacetoacetate isomerase (Glutathione S-transferase)
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-03-21
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of glutathione s-transferase zeta from methylobacterium extorquens (TARGET EFI-507068)
To be Published
7T18
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BU of 7t18 by Molmil
Rev1 Ternary Complex with dTTP and Ca2+
分子名称: CALCIUM ION, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*G)-3'), ...
著者Freudenthal, B.D, Weaver, T.M.
登録日2021-12-01
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1.
Nat Commun, 13, 2022
6M8C
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BU of 6m8c by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with isorhamnetin
分子名称: Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, isorhamnetin
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
7T1A
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BU of 7t1a by Molmil
Rev1 Ternary Complex with dATP and Ca2+
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ...
著者Freudenthal, B.D, Weaver, T.M.
登録日2021-12-01
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1.
Nat Commun, 13, 2022
4HX6
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BU of 4hx6 by Molmil
Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6
分子名称: ACETATE ION, Oxidoreductase, SULFATE ION
著者Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-11-09
公開日2012-11-28
最終更新日2016-12-07
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus.
Biochemistry, 55, 2016
1BGE
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BU of 1bge by Molmil
CRYSTAL STRUCTURE OF CANINE AND BOVINE GRANULOCYTE-COLONY STIMULATING FACTOR (G-CSF)
分子名称: GRANULOCYTE COLONY-STIMULATING FACTOR
著者Lovejoy, B, Cascio, D, Eisenberg, D.
登録日1993-04-27
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of canine and bovine granulocyte-colony stimulating factor (G-CSF).
J.Mol.Biol., 234, 1993
6YAE
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BU of 6yae by Molmil
AP2 core in physiological buffer
分子名称: AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
著者Kane Dickson, V, Kovtun, O, Kelly, B.T, Owen, D.J, Briggs, J.A.G.
登録日2020-03-12
公開日2020-07-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Architecture of the AP2/clathrin coat on the membranes of clathrin-coated vesicles.
Sci Adv, 6, 2020
4WRE
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BU of 4wre by Molmil
Crystal Structure of Surfactant Protein-A DEDN Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, CHLORIDE ION, ...
著者Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X.
登録日2014-10-23
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
6EZW
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BU of 6ezw by Molmil
Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group C2
分子名称: VHH antibody BCD090-M2
著者Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B.
登録日2017-11-16
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59842849 Å)
主引用文献Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
5EP4
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BU of 5ep4 by Molmil
Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M.
登録日2015-11-11
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
4HXF
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BU of 4hxf by Molmil
Acylaminoacyl peptidase in complex with Z-Gly-Gly-Phe-chloromethyl ketone
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
著者Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V.
登録日2012-11-09
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
6F0F
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Crystal structure ASF1-ip2_s
分子名称: Histone chaperone ASF1A, ip2_s
著者Gaubert, A, Guichard, B, Murciano, B, Le Du, M.H, Ochsenbein, F, Guerois, R, Andreani, J.
登録日2017-11-20
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design on a Rational Basis of High-Affinity Peptides Inhibiting the Histone Chaperone ASF1.
Cell Chem Biol, 26, 2019

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