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PDB: 52048 件

5MVM
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BU of 5mvm by Molmil
X-ray structure of the F14'A -N15'A double mutant of GLIC in complex with propofol
分子名称: 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ...
著者Fourati, Z, Delarue, M.
登録日2017-01-16
公開日2018-03-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献X-ray structure of the F14'A -N15'A double mutant of GLIC in complex with propofol
To Be Published
6ZYY
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BU of 6zyy by Molmil
Outer Dynein Arm-Shulin complex - Dyh3 motor region (Tetrahymena thermophila)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Mali, G.R, Abid Ali, F, Lau, C.K, Begum, F, Boulanger, J, Howe, J.D, Chen, Z.A, Rappsilber, J, Skehel, M, Carter, A.P.
登録日2020-08-03
公開日2021-02-03
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Shulin packages axonemal outer dynein arms for ciliary targeting.
Science, 371, 2021
5MDQ
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BU of 5mdq by Molmil
Crystal structure of outer membrane expressed Chitoporin VhChip from Vibrio harveyi
分子名称: Chitoporin, SODIUM ION
著者Zahn, M, van den Berg, B.
登録日2016-11-13
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for chitin acquisition by marine Vibrio species.
Nat Commun, 9, 2018
7A5K
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BU of 7a5k by Molmil
Structure of the human mitoribosome in the post translocation state bound to mtEF-G1
分子名称: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
著者Desai, N, Yang, H, Chandrasekaran, V, Kazi, R, Minczuk, M, Ramakrishnan, V.
登録日2020-08-21
公開日2020-12-23
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Elongational stalling activates mitoribosome-associated quality control.
Science, 370, 2020
5MEM
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BU of 5mem by Molmil
A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe.
分子名称: 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one, Glycogen phosphorylase, muscle form, ...
著者Mamais, M, Chrysina, E.D.
登録日2016-11-15
公開日2017-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site.
Chemistry, 23, 2017
7AB1
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BU of 7ab1 by Molmil
Crystal structure of MerTK kinase domain in complex with Gilteritinib
分子名称: 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
5MDN
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BU of 5mdn by Molmil
Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis
分子名称: DNA polymerase, MAGNESIUM ION
著者Guo, J, Zhang, W, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Akhtar, M.
登録日2016-11-12
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
7AEA
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BU of 7aea by Molmil
Cryo-EM structure of human RNA Polymerase III elongation complex 2
分子名称: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
著者Girbig, M, Misiaszek, A.D, Vorlaender, M.K, Mueller, C.W.
登録日2020-09-17
公開日2021-02-03
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures of human RNA polymerase III in its unbound and transcribing states.
Nat.Struct.Mol.Biol., 28, 2021
5MF9
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BU of 5mf9 by Molmil
Solution structure of the RBM5 OCRE domain in complex with polyproline SmN peptide.
分子名称: RNA-binding protein 5, Survival motor neuron protein
著者Mourao, A, Sattler, M, Bonnal, S, Komal, S, Warner, L, Bordonne, R, Valcarcel, J.
登録日2016-11-17
公開日2016-12-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for the recognition ofspliceosomal SmN B B proteins by theRBM5 OCRE domain in splicing regulation
Elife, 5, 2016
7A7B
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Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YpdA family putative bacillithiol disulfide reductase Bdr
著者Hammerstad, M, Hersleth, H.-P.
登録日2020-08-27
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase.
Biochemistry, 59, 2020
5MK4
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BU of 5mk4 by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator.
分子名称: (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, CHLORIDE ION, Nuclear receptor coactivator 2, ...
著者Andrei, S.A, Scheepstra, M, Brunsveld, L, Ottmann, C.
登録日2016-12-02
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
5MLD
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BU of 5mld by Molmil
Crystal Structure of RosB with bound intermediate AFP (8-demethyl-8-aminoriboflavin-5'-phosphate)
分子名称: 8-demethyl-8-aminoriboflavin-5'-phosphate, BRAMP domain protein
著者Konjik, V, Bruenle, S, Demmer, U, Vanselow, A, Sandhoff, R, Mack, M, Ermler, U.
登録日2016-12-06
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of RosB gives insights into the reaction mechanism of this first known member of a new family of flavodoxin-like enzymes
To be published
7AAC
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BU of 7aac by Molmil
Crystal structure of the catalytic domain of human PARP1 in complex with veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D.
登録日2020-09-04
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
5MMN
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BU of 5mmn by Molmil
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea
分子名称: 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea, DNA gyrase subunit B
著者Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
登録日2016-12-12
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
5WTE
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BU of 5wte by Molmil
Cryo-EM structure for Hepatitis A virus full particle
分子名称: VP1, VP2, VP3
著者Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
登録日2016-12-11
公開日2017-01-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MO5
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BU of 5mo5 by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
分子名称: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MOH
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BU of 5moh by Molmil
Crystal structure of CK2alpha with ZT0583 bound.
分子名称: 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-14
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5MP8
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BU of 5mp8 by Molmil
Crystal Structure of CK2alpha with ZT0432 bound
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
登録日2016-12-16
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5WUE
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BU of 5wue by Molmil
Structural basis for conductance through TRIC cation channels
分子名称: SULFATE ION, Uncharacterized protein
著者Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2016-12-17
公開日2017-06-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5MPB
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26S proteasome in presence of AMP-PNP (s3)
分子名称: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
著者Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
登録日2016-12-16
公開日2017-03-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MS3
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Kallikrein-related peptidase 8 calcium complex
分子名称: CALCIUM ION, Kallikrein-8
著者Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P.
登録日2016-12-30
公開日2018-01-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures
To Be Published
7AAD
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BU of 7aad by Molmil
Crystal structure of the catalytic domain of human PARP1 in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D.
登録日2020-09-04
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
7AAX
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BU of 7aax by Molmil
Crystal structure of MerTK kinase domain in complex with LDC1267
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
著者Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
5MV0
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BU of 5mv0 by Molmil
Structure of an N-terminal domain of a reptarenavirus L protein
分子名称: L protein, PHOSPHATE ION
著者Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S.
登録日2017-01-14
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
5WX8
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BU of 5wx8 by Molmil
Human herpesvirus 6A immediate early protein 2 C-terminal domain
分子名称: Immediate-early protein 2
著者Nishimura, M, Wang, J, Wakata, A, Sakamoto, K, Mori, Y.
登録日2017-01-06
公開日2017-08-02
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the DNA-Binding Domain of Human Herpesvirus 6A Immediate Early Protein 2.
J. Virol., 91, 2017

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件を2024-10-16に公開中

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