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PDB: 53266 件

8SI3
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Cryo-EM structure of TRPM7 in GDN detergent in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
4F1L
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Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z)
分子名称: (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
登録日2012-05-07
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
8SI2
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Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CHOLESTEROL, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI8
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Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor VER155008 in closed state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
1HSM
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BU of 1hsm by Molmil
THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA
分子名称: BETA-MERCAPTOETHANOL, HIGH MOBILITY GROUP PROTEIN 1
著者Read, C.M, Cary, P.D, Crane-Robinson, C, Driscoll, P.C, Carillo, M.O.M, Norman, D.G.
登録日1994-11-17
公開日1995-02-07
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献The Structure of the Hmg Box and its Interaction with DNA
To be Published
8GA5
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CLC-ec1 L25C/A450C/C85A at pH 4.5 100mM Cl Intermediate
分子名称: CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA
著者Fortea, E, Lee, S, Argyos, Y, Chadda, R, Ciftci, D, Huysmans, G, Robertson, J.L, Boudker, O, Accardi, A.
登録日2023-02-22
公開日2024-02-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis of pH-dependent activation in a CLC transporter.
Nat.Struct.Mol.Biol., 31, 2024
7RBT
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BU of 7rbt by Molmil
cryo-EM structure of human Gastric inhibitory polypeptide receptor GIPR bound to tirzepatide
分子名称: 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol, Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-06
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
1HZ2
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SOLUTION NMR STRUCTURE OF SELF-COMPLEMENTARY DUPLEX 5'-D(AGGCG*CCT)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE N2 POSITION OF G*. MODEL OF A MALONDIALDEHYDE CROSSLINK
分子名称: DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'), PROPANE
著者Dooley, P.A, Tsarouhtsis, D, Korbel, G.A, Nechev, L.V, Shearer, J, Zegar, I.S, Harris, C.M, Stone, M.P, Harris, T.M.
登録日2001-01-23
公開日2001-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural studies of an oligodeoxynucleotide containing a trimethylene interstrand cross-link in a 5'-(CpG) motif: model of a malondialdehyde cross-link.
J.Am.Chem.Soc., 123, 2001
4W7A
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BU of 4w7a by Molmil
Crystal Structure of Full-Length Split GFP Mutant D21H/K26C Disulfide and Metal-Mediated Dimer, P 21 21 21 Space Group, Form 4
分子名称: COPPER (II) ION, fluorescent protein D21H/K26C
著者Leibly, D.J, Waldo, G.S, Yeates, T.O.
登録日2014-08-21
公開日2015-02-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.603 Å)
主引用文献A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
5DJW
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BU of 5djw by Molmil
Crystal structure of Family 31 alpha-glucosidase (BT_3299) from Bacteroides thetaiotaomicron
分子名称: Alpha-glucosidase II
著者Chaudet, M.M, Rose, D.R.
登録日2015-09-02
公開日2016-03-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Suggested alternative starch utilization system from the human gut bacterium Bacteroides thetaiotaomicron.
Biochem.Cell Biol., 94, 2016
4EYY
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BU of 4eyy by Molmil
Crystal Structure of the IcmR-IcmQ complex from Legionella pneumophila
分子名称: IcmQ, IcmR
著者Farelli, J.D, Gumbart, J, Akey, I.V, Amyot, W, Hempstead, A.D, Head, J.F, McKnight, C.J, Isberg, R.R, Akey, C.W.
登録日2012-05-02
公開日2013-05-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献IcmQ in the Type 4b secretion system contains an NAD+ binding domain.
Structure, 21, 2013
5DTL
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BU of 5dtl by Molmil
Crystal structure of mEos2-A69T fluorescent protein
分子名称: Green to red photoconvertible GFP-like protein EosFP
著者Berardozzi, R, Adam, V, Martins, A, Bourgeois, D.
登録日2015-09-18
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Arginine 66 Controls Dark-State Formation in Green-to-Red Photoconvertible Fluorescent Proteins.
J.Am.Chem.Soc., 138, 2016
6D9L
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BU of 6d9l by Molmil
Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair
分子名称: DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ...
著者Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
登録日2018-04-30
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
5W39
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BU of 5w39 by Molmil
Crystal structure of mutant CJ YCEI protein (CJ-N182C) with monobromobimane guest structure
分子名称: 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, EICOSANE, Polyisoprenoid-binding protein, ...
著者Huber, T.R, Snow, C.D.
登録日2017-06-07
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
8SLU
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BU of 8slu by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa)
分子名称: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
5DLH
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BU of 5dlh by Molmil
SFX structure of thermolysin
分子名称: CALCIUM ION, Thermolysin, ZINC ION
著者DeMirci, H.D, Sauter, N.K, Brewster, A.S, Kern, J.
登録日2015-09-04
公開日2015-11-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2501 Å)
主引用文献Serial Femtosecond Crystallography of Ribosome-Antibiotic and Photosystem II Complexes at Ambient Temperature using a Concentric Electrospinning Injector.
To Be Published
8SLT
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BU of 8slt by Molmil
Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa)
分子名称: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
8SLS
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BU of 8sls by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa)
分子名称: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
4F1U
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Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5
分子名称: 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ...
著者Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E.
登録日2012-05-07
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
5KKS
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ROCK 1 bound to azaindole thiazole inhibitor
分子名称: 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2016-06-22
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
5W6M
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BU of 5w6m by Molmil
Crystal structure of the human histidyl-tRNA synthetase mutant D175E
分子名称: Histidine--tRNA ligase, cytoplasmic
著者Blocquel, D, Yang, X.L.
登録日2017-06-16
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.696 Å)
主引用文献CMT disease severity correlates with mutation-induced open conformation of histidyl-tRNA synthetase, not aminoacylation loss, in patient cells.
Proc.Natl.Acad.Sci.USA, 2019
5KO3
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BU of 5ko3 by Molmil
Structure of a Core Papain-like Protease of MERS Coronavirus with utility for structure-based drug design
分子名称: ACETATE ION, ORF1a, ZINC ION
著者Clasman, J.C, Baez-Santos, Y.M, Mesecar, A.D.
登録日2016-06-29
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献X-ray Structure and Enzymatic Activity Profile of a Core Papain-like Protease of MERS Coronavirus with utility for structure-based drug design.
Sci Rep, 7, 2017
5DZQ
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BU of 5dzq by Molmil
C3larvin toxin, an ADP-ribosyltransferase from Paenibacillus larvae, Orthorhombic Form
分子名称: GLYCEROL, MAGNESIUM ION, Toxin-like protein
著者Dutta, D, Ravulapalli, R, Merrill, A.R.
登録日2015-09-26
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Structural variability of C3larvin toxin. Intrinsic dynamics of the alpha / beta fold of the C3-like group of mono-ADP-ribosyltransferase toxins.
J. Biomol. Struct. Dyn., 34, 2016
3KVI
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BU of 3kvi by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate
分子名称: Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-30
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
5E12
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Crystal Structure of PASTA Domains 2, 3 and 4 of Mycobacterium tuberculosis Protein Kinase B
分子名称: CITRATE ANION, Serine/threonine-protein kinase PknB
著者Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-29
公開日2016-09-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016

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