4TWF
 
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromomemantine | | 分子名称: | Bromomemantine, Cys-loop ligand-gated ion channel | | 著者 | Ulens, C, Spurny, R, Thompson, A.J, Alqazzaz, M, Debaveye, S, Lu, H, Price, K, Villalgordo, J.M, Tresadern, G, Lynch, J.W, Lummis, S.C.R. | | 登録日 | 2014-06-30 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.901 Å) | | 主引用文献 | The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Structure, 22, 2014
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4TUY
 | | Tubulin-Rhizoxin complex | | 分子名称: | (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | | 登録日 | 2014-06-25 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3VEU
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326 | | 分子名称: | (2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide, Beta-secretase 1 | | 著者 | Rondeau, J.M, Bourgier, E. | | 登録日 | 2012-01-09 | | 公開日 | 2012-11-21 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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6NTU
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6NO8
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6NOK
 | | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution | | 分子名称: | Fatty Acid Kinase (Fak) B1 protein, MYRISTIC ACID, SODIUM ION | | 著者 | Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O. | | 登録日 | 2019-01-16 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution
To Be Published
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6QNW
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6O04
 | | M.tb MenD IntII bound with Inhibitor | | 分子名称: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | | 著者 | Johnston, J.M, Bashiri, G, Bulloch, E.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Baker, E.N. | | 登録日 | 2019-02-15 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
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6QPF
 | | Influenza A virus Polymerase Heterotrimer A/duck/Fujian/01/2002(H5N1) | | 分子名称: | Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit | | 著者 | Fan, H.T, Keown, J.R, Fodor, E, Grimes, J.M. | | 登録日 | 2019-02-13 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.634 Å) | | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
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6QWL
 | | Influenza B virus (B/Panama/45) polymerase Hetermotrimer in complex with 3'5' cRNA promoter | | 分子名称: | 3' cRNA, 5' cRNA, Polymerase acidic protein, ... | | 著者 | Keown, J.R, Carrique, L, Fan, H, Fodor, E, Grimes, J.M. | | 登録日 | 2019-03-05 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
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6QXK
 | | Human PIM1 bound to OX0999 | | 分子名称: | 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one, Pimtide, Serine/threonine-protein kinase pim-1 | | 著者 | Alexander, L.T, Elkins, J.M, Russell, A, Bountra, C, Edwards, A.M, Knapp, S. | | 登録日 | 2019-03-07 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | PIM1 bound to OX0999
To Be Published
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8TB7
 | | Cryo-EM Structure of GPR61- | | 分子名称: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | | 著者 | Lees, J.A, Dias, J.M, Han, S. | | 登録日 | 2023-06-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
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8TB0
 | | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | | 分子名称: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Lees, J.A, Dias, J.M, Han, S. | | 登録日 | 2023-06-28 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism.
Nat Commun, 14, 2023
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6NTP
 | | PTP1B Domain of PTP1B-LOV2 Chimera | | 分子名称: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1 | | 著者 | Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M. | | 登録日 | 2019-01-30 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Minimally disruptive optical control of protein tyrosine phosphatase 1B.
Nat Commun, 11, 2020
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6O0G
 | | M.tb MenD bound to Intermediate I and Inhibitor | | 分子名称: | 1,4-dihydroxy-2-naphthoic acid, 2-OXOGLUTARIC ACID, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | | 著者 | Johnston, J.M, Bashiri, G, Bulloch, E.M.M, Jirgis, E.M.N, Chuang, H, Nigon, L.V, Baker, E.N. | | 登録日 | 2019-02-16 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
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8SNH
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8SMR
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6NF5
 | | BG505 MD64 N332-GT5 SOSIP trimer in complex with BG18-like precursor HMP1 fragmentantigen binding and base-binding RM20A3 fragment antigen binding | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG18-like precursor HMP1 fragment antigen binding heavy chain, ... | | 著者 | Ozorowski, G, Torres, J.L, Steichen, J.M, Schief, W.R, Ward, A.B. | | 登録日 | 2018-12-18 | | 公開日 | 2019-11-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
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6QPG
 | | Influenza A virus Polymerase Heterotrimer A/nt/60/1968(H3N2) in complex with Nanobody NB8205 | | 分子名称: | Nanobody NB8205, Polymerase acidic protein, Polymerase basic protein 2, ... | | 著者 | Fan, H.T, Keown, J.R, Fodor, E, Grimes, J.M. | | 登録日 | 2019-02-13 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
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6NM1
 | | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A158L mutant to 2.33 Angstrom resolution exhibits a conformation change compared to the wild type form | | 分子名称: | Fatty acid Kinase (Fak) B1 protein, MYRISTIC ACID | | 著者 | Cuypers, M.G, Gullett, J.M, Subramanian, C, Ericson, M, White, S.W, Rock, C.O. | | 登録日 | 2019-01-10 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
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8SWZ
 | | PARP4 ART domain bound to EB47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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8SX1
 | | PARP4 catalytic domain | | 分子名称: | Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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8SX2
 | | PARP4 catalytic domain bound to EB47 | | 分子名称: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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8SWY
 | | PARP4 ART domain bound to NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4 | | 著者 | Frigon, L, Pascal, J.M. | | 登録日 | 2023-05-19 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
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6QX3
 | | Influenza A virus (A/NT/60/1968) polymerase Hetermotrimer in complex with 3'5' cRNA promoter and Nb8205 | | 分子名称: | Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ... | | 著者 | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | | 登録日 | 2019-03-07 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.79 Å) | | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
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