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2NSQ
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Crystal structure of the C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase NEDD4-like protein, GLYCEROL
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-11-06
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The C2 domain of the human E3 ubiquitin-protein ligase NEDD4-like protein
To be Published
2NWC
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BU of 2nwc by Molmil
A 3.02 angstrom crystal structure of wild-type apo GroEL in a monoclinic space group
分子名称: 60 kDa chaperonin
著者Kiser, P.D, Lodowski, D.T, Palczewski, K.
登録日2006-11-14
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Purification, crystallization and structure determination of native GroEL from Escherichia coli lacking bound potassium ions
Acta Crystallogr.,Sect.F, 63, 2007
7NBA
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BU of 7nba by Molmil
Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule.
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ...
著者Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
7NB8
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Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule.
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ...
著者Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
2ORP
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BU of 2orp by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex
分子名称: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
7NDT
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BU of 7ndt by Molmil
UL40:01 TCR in complex with HLA-E with a non-natural amino acid
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
著者Pengelly, R.J, Robinson, R.A.
登録日2021-02-02
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.999 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
2ORO
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BU of 2oro by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex
分子名称: N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
7NE6
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BU of 7ne6 by Molmil
Human TET2 in complex with unfavourable DNA substrate.
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*CP*AP*GP*GP*(5CM)P*GP*CP*CP*TP*G)-3'), ...
著者Rafalski, D, Bochtler, M.
登録日2021-02-03
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function.
Sci Adv, 8, 2022
6Y4V
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BU of 6y4v by Molmil
Crystal structure of p38 in complex with SR68
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
3BV3
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Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
分子名称: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BLY
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BU of 3bly by Molmil
Pyranose 2-oxidase from Trametes multicolor, E542K/L537W
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase
著者Tan, T.C, Divne, C.
登録日2007-12-11
公開日2008-12-02
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Improving thermostability and catalytic activity of pyranose 2-oxidase from Trametes multicolor by rational and semi-rational design
Febs J., 276, 2009
6Y9D
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BU of 6y9d by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate L-Carnitine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARNITINE, Carnitine monooxygenase oxygenase subunit, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-06
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
6YK7
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BU of 6yk7 by Molmil
Crystal structure of p38 in complex with SR43
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-05
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
6YNX
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BU of 6ynx by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - Fo-subcomplex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Kock Flygaard, R, Muhleip, A, Amunts, A.
登録日2020-04-14
公開日2020-09-30
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
6Y4W
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BU of 6y4w by Molmil
Crystal structure of p38 in complex with SR69
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-02-23
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
3CCB
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BU of 3ccb by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CTQ
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BU of 3ctq by Molmil
Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide
分子名称: Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide
著者Qian, K.
登録日2008-04-14
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
6ZGP
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BU of 6zgp by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
3D7Z
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BU of 3d7z by Molmil
Crystal Structure of P38 Kinase in Complex with a biphenyl amide inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide, ...
著者Somers, D.O, Patel, S.
登録日2008-05-22
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity.
Bioorg.Med.Chem.Lett., 18, 2008
8WM6
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BU of 8wm6 by Molmil
The structure of PSI-CAC(L-14)of R.salina at 2.7 angstroms resolution
分子名称: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Zhang, S.M, Si, L, Li, M.
登録日2023-10-03
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
3D83
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Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide
著者Somers, D.O.
登録日2008-05-22
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes.
Bioorg.Med.Chem.Lett., 18, 2008
6ZWR
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BU of 6zwr by Molmil
p38a bound with SR92
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2020-07-28
公開日2020-08-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
3DEG
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BU of 3deg by Molmil
Complex of elongating Escherichia coli 70S ribosome and EF4(LepA)-GMPPNP
分子名称: 30S RNA helix 14, 30S RNA helix 8, 30S ribosomal protein S12, ...
著者Connell, S.R, Topf, M, Qin, Y, Wilson, D.N, Mielke, T, Fucini, P, Nierhaus, K.H, Spahn, C.M.T.
登録日2008-06-10
公開日2008-08-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (10.9 Å)
主引用文献A new tRNA intermediate revealed on the ribosome during EF4-mediated back-translocation
Nat.Struct.Mol.Biol., 15, 2008
3DQX
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BU of 3dqx by Molmil
chicken c-Src kinase domain in complex with ATPgS
分子名称: ADENOSINE MONOPHOSPHATE, Proto-oncogene tyrosine-protein kinase Src
著者Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q.
登録日2008-07-09
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Activation of tyrosine kinases by mutation of the gatekeeper threonine.
Nat.Struct.Mol.Biol., 15, 2008
3DW3
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Proteinase K by Classical hanging drop method before high X Ray dose on ESRF ID 14-2 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-07-21
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Radiation damage in protein structural characterization by Synchrotron Radiation: State of the art and Nanotechnology-based perspective
To be Published

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