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7TT6
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BU of 7tt6 by Molmil
BamABCDE bound to substrate EspP in the intermediate-open EspP state
分子名称: Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ...
著者Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
登録日2022-01-31
公開日2022-03-30
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
7C05
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Crystal structure of human Trap1 with DN203495
分子名称: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
登録日2020-04-30
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
7FJN
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BU of 7fjn by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ...
著者Wang, X, Zhang, L, Zhang, S, Liang, Q.
登録日2021-08-04
公開日2022-04-27
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
2XLP
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BU of 2xlp by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Ser mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Orru, R, Fraaije, M.W, Mattevi, A.
登録日2010-07-21
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase.
J. Biol. Chem., 285, 2010
7K3V
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BU of 7k3v by Molmil
Apoferritin structure at 1.34 angstrom resolution determined from a 300 kV Titan Krios G3i electron microscope with K3 detector
分子名称: Ferritin heavy chain, SODIUM ION, ZINC ION
著者Zhang, K, Pintilie, G, Li, S, Schmid, M, Chiu, W.
登録日2020-09-14
公開日2020-11-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.34 Å)
主引用文献Resolving individual atoms of protein complex by cryo-electron microscopy.
Cell Res., 30, 2020
7F5W
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BU of 7f5w by Molmil
Conserved and divergent strigolactone signaling in Saccharum spontaneum
分子名称: High tillering and dwarf 2 protein
著者Zhao, Q.Q, Ming, Z.H.
登録日2021-06-23
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.654 Å)
主引用文献Identification of Conserved and Divergent Strigolactone Receptors in Sugarcane Reveals a Key Residue Crucial for Plant Branching Control.
Front Plant Sci, 12, 2021
7TQA
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BU of 7tqa by Molmil
Crystal Structure of monoclonal S9.6 Fab
分子名称: Fab S9.6 heavy chain, Fab S9.6 light chain, GLYCEROL, ...
著者Bou-Nader, C, Zhang, J.
登録日2022-01-26
公開日2022-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.328 Å)
主引用文献Structural basis of R-loop recognition by the S9.6 monoclonal antibody.
Nat Commun, 13, 2022
7C23
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BU of 7c23 by Molmil
Crystal structure of CrmE10, a SGNH-hydrolase family esterase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Li, Z, Li, J.
登録日2020-05-07
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
3J5Q
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BU of 3j5q by Molmil
Structure of TRPV1 ion channel in complex with DkTx and RTX determined by single particle electron cryo-microscopy
分子名称: Kappa-theraphotoxin-Cg1a 1, Transient receptor potential cation channel subfamily V member 1
著者Liao, M, Cao, E, Julius, D, Cheng, Y.
登録日2013-10-28
公開日2013-12-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献TRPV1 structures in distinct conformations reveal activation mechanisms.
Nature, 504, 2013
5M8U
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BU of 5m8u by Molmil
PCE reductive dehalogenase from S. multivorans in complex with 4-bromophenol
分子名称: 4-BROMOPHENOL, BENZAMIDINE, GLYCEROL, ...
著者Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G.
登録日2016-10-30
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
3J6F
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BU of 3j6f by Molmil
Minimized average structure of GDP-bound dynamic microtubules
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Alushin, G.M, Lander, G.C, Kellogg, E.H, Zhang, R, Baker, D, Nogales, E.
登録日2014-02-19
公開日2014-06-04
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献High-Resolution Microtubule Structures Reveal the Structural Transitions in alpha beta-Tubulin upon GTP Hydrolysis.
Cell(Cambridge,Mass.), 157, 2014
2XEY
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BU of 2xey by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-06-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
7EQ7
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BU of 7eq7 by Molmil
Co-Crystal Structure Analysis of Annexin A2 and 5alpha-EAL
分子名称: Annexin A2, CALCIUM ION
著者Liu, X, Yang, G.
登録日2021-04-30
公開日2022-05-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.111 Å)
主引用文献Co-Crystal Structure Analysis of Annexin A2 and 5alpha-EAL
To be published
5MA7
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BU of 5ma7 by Molmil
Structure of thermolysin in complex with inhibitor (JC306).
分子名称: (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
登録日2016-11-03
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin.
J. Am. Chem. Soc., 139, 2017
5M8Z
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BU of 5m8z by Molmil
PCE reductive dehalogenase from S. multivorans in complex with 2,3-difluorophenol
分子名称: 2,3-bis(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ...
著者Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G.
登録日2016-10-30
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
7TT0
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BU of 7tt0 by Molmil
BamABCDE bound to substrate EspP class 2
分子名称: Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ...
著者Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
登録日2022-01-31
公開日2022-03-30
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
7BTW
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BU of 7btw by Molmil
The mitochondrial SAM complex from S.cere
分子名称: Mitochondrial outer membrane beta-barrel protein, SAM37 isoform 1, Sorting assembly machinery 35 kDa subunit
著者Takeda, H, Tsutsumi, A, Nishizawa, T, Nureki, O, Kikkawa, M, Endo, T.
登録日2020-04-03
公開日2021-01-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mitochondrial sorting and assembly machinery operates by beta-barrel switching.
Nature, 590, 2021
2XBS
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BU of 2xbs by Molmil
Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy)
分子名称: CHLORIDE ION, LYSOZYME C
著者Carpentier, P, Royant, A, Weik, M, Bourgeois, D.
登録日2010-04-14
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation
Structure, 18, 2010
2IVZ
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BU of 2ivz by Molmil
Structure of TolB in complex with a peptide of the colicin E9 T- domain
分子名称: CALCIUM ION, COLICIN-E9, PROTEIN TOLB
著者Loftus, S.R, Walker, D, Mate, M.J, Bonsor, D.A, James, R, Moore, G.R, Kleanthous, C.
登録日2006-06-23
公開日2006-08-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Competitive Recruitment of the Periplasmic Translocation Portal Tolb by a Natively Disordered Domain of Colicin E9
Proc.Natl.Acad.Sci.USA, 103, 2006
5MAR
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BU of 5mar by Molmil
Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose.
分子名称: 1,2-ETHANEDIOL, 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol, ACETATE ION, ...
著者Moniot, S, Steegborn, C.
登録日2016-11-04
公開日2017-03-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity.
J. Med. Chem., 60, 2017
7TT5
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BU of 7tt5 by Molmil
BamABCDE bound to substrate EspP in the open-sheet EspP state
分子名称: Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, ...
著者Doyle, M.T, Jimah, J.R, Dowdy, T, Ohlemacher, S.I, Larion, M, Hinshaw, J.E, Bernstein, H.D.
登録日2022-01-31
公開日2022-03-30
最終更新日2022-04-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structures reveal multiple stages of bacterial outer membrane protein folding.
Cell, 185, 2022
7Q8O
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BU of 7q8o by Molmil
Peptide LLSGKE in complex with human cathepsin V C25S mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
著者Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins.
Commun Biol, 6, 2023
2XO6
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BU of 2xo6 by Molmil
DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE Y132F MUTANT COMPLEXED WITH LEFT END RECOGNITION AND CLEAVAGE SITE
分子名称: 5'-D(*TP*TP*GP*AP*TP*G)-3', ACETATE ION, CADMIUM ION, ...
著者Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F.
登録日2010-08-09
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans.
Embo J., 29, 2010
7JY8
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BU of 7jy8 by Molmil
Analysis of a strand exchange reaction with a mini filament of 9-RecA, 27-mer ssDNA, partially-homologous 67 bp dsDNA and ATPgammaS
分子名称: DNA (27-MER), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), MAGNESIUM ION, ...
著者Pavletich, N.P.
登録日2020-08-29
公開日2020-11-04
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures.
Nature, 586, 2020
2XP7
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BU of 2xp7 by Molmil
DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION
分子名称: 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
著者Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
登録日2010-08-25
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010

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