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PDB: 89111 件

6GGY
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Paenibacillus sp. YM1 laminaribiose phosphorylase with sulphate bound
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Laminaribiose phosphorylase, ...
著者Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A.
登録日2018-05-04
公開日2018-06-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy.
Chembiochem, 20, 2019
6GFI
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BU of 6gfi by Molmil
Structure of Human Mesotrypsin in complex with APPI variant T11V/M17R/I18F/F34V
分子名称: 1,2-ETHANEDIOL, Amyloid-beta A4 protein, PRSS3 protein
著者Shahar, A, Cohen, I, Radisky, E, Papo, N, Naftaly, S.
登録日2018-04-30
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mapping protein selectivity landscapes using multi-target selective screening and next-generation sequencing of combinatorial libraries.
Nat Commun, 9, 2018
5TPY
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BU of 5tpy by Molmil
Crystal structure of an exonuclease resistant RNA from Zika virus
分子名称: HEXANE-1,6-DIOL, MAGNESIUM ION, RNA (71-MER)
著者Akiyama, B.M, Laurence, H.M, Massey, A.R, Costantino, D.A, Xie, X, Yang, Y, Shi, P.-Y, Nix, J.C, Beckham, J.D, Kieft, J.S.
登録日2016-10-21
公開日2016-12-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献Zika virus produces noncoding RNAs using a multi-pseudoknot structure that confounds a cellular exonuclease.
Science, 354, 2016
6GH0
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Two-quartet kit* G-quadruplex is formed via double-stranded pre-folded structure
分子名称: DNA (5'-D(*GP*GP*CP*GP*AP*GP*GP*AP*GP*GP*GP*GP*CP*GP*TP*GP*GP*CP*CP*GP*GP*C)-3')
著者Kotar, A, Rigo, R, Sissi, C, Plavec, J.
登録日2018-05-04
公開日2019-01-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two-quartet kit* G-quadruplex is formed via double-stranded pre-folded structure.
Nucleic Acids Res., 47, 2019
4YI3
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Crystal structure of Gpb in complex with 4a
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
登録日2015-02-27
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
6GL9
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Crystal structure of JAK3 in complex with Compound 10 (FM475)
分子名称: (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile, 1,2-ETHANEDIOL, 1-phenylurea, ...
著者Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-05-23
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold.
J. Med. Chem., 61, 2018
6AX6
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BU of 6ax6 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
分子名称: FE (II) ION, IODIDE ION, Procollagen lysyl hydroxylase and glycosyltransferase
著者Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
登録日2017-09-06
公開日2018-02-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.241 Å)
主引用文献Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
7KP6
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Structure of Ack1 kinase in complex with a selective inhibitor
分子名称: 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION
著者Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A.
登録日2020-11-10
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance.
Nat Commun, 13, 2022
8SW3
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BG505 GT1.1 SOSIP in complex with NHP Fabs 12C11 and RM20A3
分子名称: 12C11 heavy chain variable region, 12C11 light chain variable region, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, S, Torres, J.L, Ozorowski, G, Ward, A.B.
登録日2023-05-17
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Germline-targeting HIV vaccination induces neutralizing antibodies to the CD4 binding site.
Sci Immunol, 9, 2024
6GOE
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BU of 6goe by Molmil
KRAS full length G12V GPPNHP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GQ3
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BU of 6gq3 by Molmil
Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ...
著者Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J.
登録日2018-06-07
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity.
Commun Biol, 2, 2019
6GL3
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Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44
分子名称: (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
著者Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J.
登録日2018-05-22
公開日2018-08-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
5IH5
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BU of 5ih5 by Molmil
Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A
分子名称: 6-(3-chlorophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ...
著者Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H.
登録日2016-02-29
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
5ICC
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BU of 5icc by Molmil
Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine
分子名称: (S)-norcoclaurine 6-O-methyltransferase, 1,2-ETHANEDIOL, POTASSIUM ION, ...
著者Robin, A.Y, Graindorge, M, Giustini, C, Dumas, R, Matringe, M.
登録日2016-02-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of norcoclaurine-6-O-methyltransferase, a key rate-limiting step in the synthesis of benzylisoquinoline alkaloids.
Plant J., 87, 2016
6GN4
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BU of 6gn4 by Molmil
tc-DNA/tc-DNA duplex
分子名称: Tc-DNA (5'-D(*(TCJ)P*(TTK)P*(TCJ)P*(TCS)P*(TCS)P*(TCJ)P*(TTK)P*(TTK)P*(TCY)P*(TCJ))-3'), Tc-DNA (5'-D(*(TCS)P*(TTK)P*(TCY)P*(TCY)P*(TCS)P*(TCJ)P*(TCJ)P*(TCS)P*(TCY)P*(TCS))-3')
著者Istrate, A, Johannsen, S, Istrate, A, Sigel, R.K.O, Leumann, C.
登録日2018-05-29
公開日2018-06-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of tricyclo-DNA containing duplexes: insight into enhanced thermal stability and nuclease resistance.
Nucleic Acids Res., 47, 2019
6GNV
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BU of 6gnv by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a isopropyl methyl indole aryl sulphonamide ligand
分子名称: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-31
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6AQF
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Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Eddy, M.T, Lee, M.Y, Gao, Z, White, K, Didenko, T, Horst, R, Audet, M, Stanczak, P, McClary, K.M, Han, G.W, Jacobson, K.A, Stevens, R.C, Wuthrich, K.
登録日2017-08-19
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor.
Cell, 172, 2018
7YYF
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Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form II
分子名称: YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-17
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
6GUX
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Dark-adapted structure of Archaerhodopsin-3 at 100K
分子名称: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
著者Moraes, I, Judge, P.J, Bada Juarez, J.F, Vinals, J, Axford, D, Watts, A.
登録日2018-06-19
公開日2019-10-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization.
Nat Commun, 12, 2021
6GQI
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Thermocrispum municipale cyclohexanone monooxygenase bound to hexanoic acid
分子名称: ACETATE ION, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mattevi, A, Gomez Castellanos, J.R.
登録日2018-06-07
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Side-Chain Pruning Has Limited Impact on Substrate Preference in a Promiscuous Enzyme.
ACS Catal, 8, 2018
7YYJ
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Tetragonal crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-18
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
5IKC
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BU of 5ikc by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN in complex with FAB
分子名称: CHLORIDE ION, Ighg protein, MAb 6H10 light chain, ...
著者Ruf, A, Stihle, M, Benz, J, Thoma, R, Rudolph, M.G.
登録日2016-03-03
公開日2016-05-18
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
7YZ8
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Triclinic crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-19
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
6GIW
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BU of 6giw by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-a
分子名称: CHLOROPHYLL A, Water-soluble chlorophyll protein
著者Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H.
登録日2018-05-15
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein.
Nat Plants, 4, 2018
7YYE
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Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-17
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024

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