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6BND
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BU of 6bnd by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
5U85
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BU of 5u85 by Molmil
Murine saposin-D (SapD), open conformation
分子名称: Saposin-D
著者Gebai, A, Gorelik, A, Illes, K, Nagar, B.
登録日2016-12-13
公開日2018-06-13
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of saposin D in an open conformation.
J. Struct. Biol., 204, 2018
8GLF
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BU of 8glf by Molmil
Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
7BD7
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BU of 7bd7 by Molmil
X-ray structure of Arsenoplatin-1-encapsulated horse spleen ferritin
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Ferraro, G, Merlino, A.
登録日2020-12-21
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Arsenoplatin-Ferritin Nanocage: Structure and Cytotoxicity.
Int J Mol Sci, 22, 2021
1PF3
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BU of 1pf3 by Molmil
Crystal Structure of the M441L mutant of the multicopper oxidase CueO
分子名称: Blue copper oxidase cueO, COPPER (II) ION, CU-CL-CU LINKAGE
著者Roberts, S.A, Wildner, G.F, Grass, G, Weichsel, A, Ambrus, A, Rensing, C, Montfort, W.R.
登録日2003-05-23
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Labile Regulatory Copper Ion Lies Near the T1 Copper Site in the Multicopper Oxidase CueO.
J.Biol.Chem., 278, 2003
8GLE
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BU of 8gle by Molmil
Crystal Structure of Human CD1b in Complex with Lysosulfatide
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
2MUS
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BU of 2mus by Molmil
HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
分子名称: 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s
著者Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A.
登録日2014-09-16
公開日2017-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
1K5D
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BU of 1k5d by Molmil
Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex
分子名称: GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R.
登録日2001-10-10
公開日2002-02-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
7BRD
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BU of 7brd by Molmil
Crystal structure of Peptidyl-tRNA hydrolase from Klebsiella pneumoniae
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Mundra, S, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
登録日2020-03-27
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Structural and functional characterization of peptidyl-tRNA hydrolase from Klebsiella pneumoniae.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
8GLI
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BU of 8gli by Molmil
Crystal Structure of Human CD1b in Complex with Mycobacterial C85-GMM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose, Beta-2-microglobulin, ...
著者Balaji, G, Rossjohn, J, Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
1PFJ
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BU of 1pfj by Molmil
Solution structure of the N-terminal PH/PTB domain of the TFIIH P62 subunit
分子名称: TFIIH basal transcription factor complex p62 subunit
著者Gervais, V, Lamour, V, Jawhari, A, Frindel, F, Wasielewski, E, Thierry, J.C, Kieffer, B, Poterszman, A, Structural Proteomics in Europe (SPINE)
登録日2003-05-27
公開日2004-06-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献TFIIH contains a PH domain involved in DNA nucleotide excision repair.
Nat.Struct.Mol.Biol., 11, 2004
8GLH
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BU of 8glh by Molmil
Crystal Structure of Human CD1b in Complex with Endogenous PC C40:5
分子名称: (11E)-hexadec-11-enoic acid, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Farquhar, R, Rossjohn, J, Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
8RPP
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BU of 8rpp by Molmil
Crystal structure of the JIP1-JIP2-SH3 heterodimer and the JIP2-JIP2-SH3 homodimer
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, C-Jun-amino-terminal kinase-interacting protein 2
著者Palencia, A, Marino-Perez, L, Ielasi, F.I, Jensen, M.R.
登録日2024-01-16
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.867 Å)
主引用文献Structural basis of homodimerization of the JNK scaffold protein JIP2 and its heterodimerization with JIP1
Structure, 2024
4J1H
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BU of 4j1h by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6R)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6R)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-02-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
8GLG
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BU of 8glg by Molmil
Crystal Structure of Human CD1b in Complex with Phosphatidylethanolamine C34:1
分子名称: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shahine, A.
登録日2023-03-22
公開日2023-09-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms.
Cell, 186, 2023
6EUG
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BU of 6eug by Molmil
The GH43, Beta 1,3 Galactosidase, BT3683 with galactoimidazole
分子名称: Beta-glucanase, GLUCOIMIDAZOLE
著者Cartmell, A, Gilbert, H.J.
登録日2017-10-30
公開日2018-10-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
1KKT
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BU of 1kkt by Molmil
Structure of P. citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the ER and Golgi Class I enzymes
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannosyl-oligosaccharide alpha-1,2-mannosidase, ...
著者Lobsanov, Y.D, Vallee, F, Imberty, A, Yoshida, T, Yip, P, Herscovics, A, Howell, P.L.
登録日2001-12-10
公開日2002-01-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Penicillium citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the endoplasmic reticulum and Golgi class I enzymes.
J.Biol.Chem., 277, 2002
7BJS
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BU of 7bjs by Molmil
Crystal structure of Khc/atypical Tm1 complex
分子名称: Kinesin heavy chain, SD21996p
著者Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
登録日2021-01-14
公開日2021-05-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
8GXV
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BU of 8gxv by Molmil
Structure of a bacterial serpin Choloropin derived from Cholorobium limicola
分子名称: GLYCEROL, Proteinase inhibitor I4 serpin, ZINC ION
著者Zhou, A, Xu, J.
登録日2022-09-21
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Climpin, a Novel Bacterial a Serpin inducing a Broad Range of Proteases and Regulated by Heparin and DNA.
To Be Published
7BJN
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BU of 7bjn by Molmil
Crystal structure of atypical Tm1 (Tm1-I/C), residues 270-334
分子名称: SD21996p
著者Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
登録日2021-01-14
公開日2021-05-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
7BJG
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BU of 7bjg by Molmil
Crystal structure of atypical Tm1 (Tm1-I/C), residues 262-363
分子名称: SD21996p
著者Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
登録日2021-01-14
公開日2021-05-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
4J1K
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BU of 4j1k by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-02-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
6F60
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BU of 6f60 by Molmil
The x-ray structure of bovine pancreatic ribonuclease in complex with a five-coordinate platinum(II) compound containing a sugar ligand
分子名称: Ribonuclease pancreatic, SULFATE ION, five-coordinate platinum(II) compound
著者Merlino, A, Ferraro, G.
登録日2017-12-04
公開日2018-04-25
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Five-Coordinate Platinum(II) Compounds Containing Sugar Ligands: Synthesis, Characterization, Cytotoxic Activity, and Interaction with Biological Macromolecules.
Inorg Chem, 57, 2018
1PBW
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BU of 1pbw by Molmil
STRUCTURE OF BCR-HOMOLOGY (BH) DOMAIN
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE
著者Musacchio, A, Cantley, L.C, Harrison, S.C.
登録日1996-10-17
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the breakpoint cluster region-homology domain from phosphoinositide 3-kinase p85 alpha subunit.
Proc.Natl.Acad.Sci.USA, 93, 1996
6F76
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BU of 6f76 by Molmil
Antibody derived (Abd-8) small molecule binding to KRAS.
分子名称: 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ...
著者Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H.
登録日2017-12-07
公開日2018-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions.
Elife, 7, 2018

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