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2YE6
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 2-AMINO-BENZAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YFL
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BU of 2yfl by Molmil
Crystal Structure of Biphenyl dioxygenase variant RR41 with 2-chloro dibenzofuran
分子名称: 2-CHLORODIBENZOFURAN, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
著者Kumar, P, Bolin, J.T.
登録日2011-04-06
公開日2012-05-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights Into the Metabolism of 2-Chlorodibenzofuran by an Evolved Biphenyl Dioxygenase.
Biochem.Biophys.Res.Commun., 421, 2012
8T1E
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BU of 8t1e by Molmil
Closed-state cryo-EM structure of full-length human TRPV4 in the presence of 4a-PDD
分子名称: (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4,Enhanced green fluorescent protein, ...
著者Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-06-02
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
2YJB
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BU of 2yjb by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
著者Banner, D.W, Benz, J.M, Haap, W.
登録日2011-05-19
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
8SW1
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BU of 8sw1 by Molmil
Puromycin-sensitive aminopeptidase with bound peptide
分子名称: Polyglutamine peptide, Puromycin-sensitive aminopeptidase, ZINC ION
著者Rodgers, D.W, Madabushi, S.
登録日2023-05-17
公開日2023-07-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structure of puromycin-sensitive aminopeptidase and polyglutamine binding.
Plos One, 18, 2023
2YS7
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Crystal structure of GAR synthetase from Geobacillus kaustophilus
分子名称: Phosphoribosylglycinamide synthetase
著者Baba, S, Kanagawa, M, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-03
公開日2007-10-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structures of glycinamide ribonucleotide synthetase, PurD, from thermophilic eubacteria
J.Biochem., 148, 2010
5E98
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BU of 5e98 by Molmil
Crystal structure of human heparanase in complex with HepMer M04S02a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heparanase, ...
著者Wu, L, Davies, G.J.
登録日2015-10-14
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
2YSU
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Structure of the complex between BtuB and Colicin E2 receptor binding domain
分子名称: Colicin-E2, Vitamin B12 transporter btuB
著者Cramer, W.A, Sharma, O, Yamashita, E.
登録日2007-04-04
公開日2007-06-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the complex of the colicin E2 R-domain and its BtuB receptor. The outer membrane colicin translocon
J.Biol.Chem., 282, 2007
8SSU
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BU of 8ssu by Molmil
ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 19mer DNA
分子名称: 1,2-ETHANEDIOL, DNA (19-MER) Strand I, DNA (19-MER) Strand II, ...
著者Horton, J.R, Yang, J, Cheng, X.
登録日2023-05-08
公開日2023-08-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
5E9B
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BU of 5e9b by Molmil
Crystal structure of human heparanase in complex with HepMer M09S05a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, CHLORIDE ION, ...
著者Wu, L, Davies, G.J.
登録日2015-10-14
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
5L0Q
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BU of 5l0q by Molmil
Crystal structure of the complex between ADAM10 D+C domain and a conformation specific mAb 8C7.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Disintegrin and metalloproteinase domain-containing protein 10, MAGNESIUM ION, ...
著者Xu, K, Saha, N, Nikolov, D.B.
登録日2016-07-28
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.759 Å)
主引用文献An activated form of ADAM10 is tumor selective and regulates cancer stem-like cells and tumor growth.
J.Exp.Med., 213, 2016
5KPF
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BU of 5kpf by Molmil
Crystal structure of cytochrome c - Phenyl-trisulfonatocalix[4]arene complex
分子名称: Cytochrome c iso-1, HEME C, NITRATE ION, ...
著者Doolan, A.M, Rennie, M.L, Crowley, P.B.
登録日2016-07-04
公開日2017-07-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Chemistry, 24, 2018
5KXD
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BU of 5kxd by Molmil
Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 6.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Evans, S.V, Haji-Ghassemi, O.
登録日2016-07-20
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin.
J.Biol.Chem., 291, 2016
6L7D
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BU of 6l7d by Molmil
Mycobacterium tuberculosis enolase mutant - S42A
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
4W2H
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BU of 4w2h by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with pactamycin (co-crystallized), mRNA and deacylated tRNA in the P site
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
著者Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V.
登録日2014-09-12
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
4W2I
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BU of 4w2i by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with negamycin, mRNA and three deacylated tRNAs in the A, P and E sites
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
著者Polikanov, Y.S, Szal, T, Jiang, F, Gupta, P, Matsuda, R, Shiozuka, M, Steitz, T.A, Vazquez-Laslop, N, Mankin, A.S.
登録日2014-09-12
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Negamycin Interferes with Decoding and Translocation by Simultaneous Interaction with rRNA and tRNA.
Mol.Cell, 56, 2014
6DB9
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BU of 6db9 by Molmil
Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer
分子名称: Fab-Heavy-Chain, Fab-Light-Chain, MAGNESIUM ION, ...
著者Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A.
登録日2018-05-02
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.025 Å)
主引用文献Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
6DA1
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BU of 6da1 by Molmil
ETS1 in complex with synthetic SRR mimic
分子名称: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide
著者Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P.
登録日2018-05-01
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.000127 Å)
主引用文献The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
6QB2
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BU of 6qb2 by Molmil
Crystal structure of the cystatin-based engineered protein scaffold SQT-1C
分子名称: Monomer of SQT-1C
著者Levy, C.W.
登録日2018-12-20
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold.
Sci Rep, 9, 2019
6DD6
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BU of 6dd6 by Molmil
Crystal structure of bacterial (6-4) photolyase PhrB from in situ serial Laue diffraction
分子名称: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Ren, Z.
登録日2018-05-09
公開日2018-07-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal-on-crystal chips for in situ serial diffraction at room temperature.
Lab Chip, 18, 2018
6DB8
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BU of 6db8 by Molmil
Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer
分子名称: 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium, Fab-Heavy chain, Fab-Light chain, ...
著者Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A.
登録日2018-05-02
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.86541343 Å)
主引用文献Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
6QCT
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BU of 6qct by Molmil
Influenza B polymerase elongation complex
分子名称: 3 end, 5 end, MAGNESIUM ION, ...
著者Cusack, S, Kouba, T.
登録日2018-12-30
公開日2019-06-05
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural snapshots of actively transcribing influenza polymerase.
Nat.Struct.Mol.Biol., 26, 2019
6QCZ
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BU of 6qcz by Molmil
MloK1 model from single particle analysis of 2D crystals, class 3 (intermediate extended conformation)
分子名称: Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION
著者Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H.
登録日2018-12-31
公開日2019-04-24
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM.
Nat Commun, 10, 2019
2FTL
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BU of 2ftl by Molmil
Crystal structure of trypsin complexed with BPTI at 100K
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
著者Hanson, W.M, Horvath, M.P, Goldenberg, D.P.
登録日2006-01-24
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Rigidification of a Flexible Protease Inhibitor Variant upon Binding to Trypsin.
J.Mol.Biol., 366, 2007
2FVQ
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A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus
分子名称: 5'-D(*CP*TP*TP*TP*CP*AP*TP*TP*AP*AP*TP*GP*AP*AP*AP*G)-3', reverse transcriptase
著者Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M.
登録日2006-01-31
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006

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