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7JHQ
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OXA-48 bound by Compound 2.3
分子名称: 1,2-ETHANEDIOL, Beta-lactamase OXA-48, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-07-21
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7KC4
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BU of 7kc4 by Molmil
Human WLS in complex with WNT8A
分子名称: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Nygaard, R, Jia, Y, Kim, J, Ross, D, Parisi, G, Clarke, O.B, Virshup, D.M, Mancia, F.
登録日2020-10-05
公開日2021-01-06
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion.
Cell, 184, 2021
7K6Q
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Active state Dot1 bound to the H4K16ac nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Truong, D.M, Lee, R, Armache, J.-P, Boeke, J.D, Armache, K.-J.
登録日2020-09-21
公開日2021-02-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Regulation of the Dot1 histone H3K79 methyltransferase by histone H4K16 acetylation.
Science, 371, 2021
7K6P
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Active state Dot1 bound to the unacetylated H4 nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Truong, D.M, Lee, R, Armache, J.-P, Boeke, J.D, Armache, K.-J.
登録日2020-09-21
公開日2021-02-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Regulation of the Dot1 histone H3K79 methyltransferase by histone H4K16 acetylation.
Science, 371, 2021
7KFL
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Crystal structure of the cargo-binding domain from the plant class XI myosin (MyoXIk)
分子名称: Myosin-17
著者Turowski, V.R, Ruiz, D.M, Nascimento, A.F.Z, Millan, C, Sammito, M.D, Juanhuix, J, Cremonesi, A.S, Uson, I, Giuseppe, P.O, Murakami, M.T.
登録日2020-10-14
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the class XI myosin globular tail reveals evolutionary hallmarks for cargo recognition in plants.
Acta Crystallogr D Struct Biol, 77, 2021
7K5V
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OXA-48 bound by Compound 3.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-09-17
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
2WQX
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InlB321_4R: S199R, D200R, G206R, A227R, C242A mutant of the Listeria monocytogenes InlB internalin domain
分子名称: INTERNALIN B
著者Niemann, H.H, Ferraris, D.M, Heinz, D.W.
登録日2009-08-27
公開日2009-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Ligand-Mediated Dimerization of the met Receptor Tyrosine Kinase by the Bacterial Invasion Protein Inlb.
J.Mol.Biol., 395, 2010
2XFF
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BU of 2xff by Molmil
Crystal structure of Barley Beta-Amylase complexed with acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, BETA-AMYLASE
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-05-28
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
2XFY
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Crystal structure of Barley Beta-Amylase complexed with alpha- cyclodextrin
分子名称: 1,2-ETHANEDIOL, BETA-AMYLASE, Cyclohexakis-(1-4)-(alpha-D-glucopyranose)
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-05-28
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.207 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
2XGI
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BU of 2xgi by Molmil
Crystal structure of Barley Beta-Amylase complexed with 3,4- epoxybutyl alpha-D-glucopyranoside
分子名称: (3R)-3-hydroxybutyl alpha-D-glucopyranoside, (3S)-3-hydroxybutyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, ...
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-06-04
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Chemical genetics and cereal starch metabolism: structural basis of the non-covalent and covalent inhibition of barley beta-amylase.
Mol Biosyst, 7, 2011
2XG9
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BU of 2xg9 by Molmil
Crystal structure of Barley Beta-Amylase complexed with 4-O-alpha-D- glucopyranosylmoranoline
分子名称: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, BETA-AMYLASE, ...
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-06-02
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
2XM7
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BU of 2xm7 by Molmil
Structural and Mechanistic Analysis of the Magnesium-Independent Aromatic Prenyltransferase CloQ from the Clorobiocin Biosynthetic Pathway
分子名称: (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID, 1,2-ETHANEDIOL, CLOQ, ...
著者Metzger, U, Keller, S, Stevenson, C.E.M, Heide, L, Lawson, D.M.
登録日2010-07-25
公開日2010-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure and Mechanism of the Magnesium-Independent Aromatic Prenyltransferase Cloq from the Clorobiocin Biosynthetic Pathway.
J.Mol.Biol., 404, 2010
2XGO
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BU of 2xgo by Molmil
XcOGT in complex with UDP-S-GlcNAc
分子名称: URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE, XCOGT
著者Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M.
登録日2010-06-07
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Amino Acids, 40, 2011
2XLQ
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BU of 2xlq by Molmil
Structural and Mechanistic Analysis of the Magnesium-Independent Aromatic Prenyltransferase CloQ from the Clorobiocin Biosynthetic Pathway
分子名称: (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID, CLOQ, FORMIC ACID
著者Metzger, U, Keller, S, Stevenson, C.E.M, Heide, L, Lawson, D.M.
登録日2010-07-21
公開日2010-10-27
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure and Mechanism of the Magnesium-Independent Aromatic Prenyltransferase Cloq from the Clorobiocin Biosynthetic Pathway.
J.Mol.Biol., 404, 2010
2XFR
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BU of 2xfr by Molmil
Crystal structure of barley beta-amylase at atomic resolution
分子名称: 1,2-ETHANEDIOL, BETA-AMYLASE
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-05-28
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
2XGB
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BU of 2xgb by Molmil
Crystal structure of Barley Beta-Amylase complexed with 2,3- epoxypropyl-alpha-D-glucopyranoside
分子名称: (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, BETA-AMYLASE
著者Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
登録日2010-06-02
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
2XXI
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Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution.
分子名称: 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
著者Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
登録日2010-11-10
公開日2011-04-06
最終更新日2011-09-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XGS
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XcOGT in complex with C-UDP
分子名称: 5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, XCOGT
著者Dorfmueller, H.C, Borodkin, V.S, Blair, D.E, Pathak, S, Navratilova, I, van Aalten, D.M.
登録日2010-06-07
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Substrate and Product Analogues as Human O-Glcnac Transferase Inhibitors.
Amino Acids, 40, 2011
7LD3
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BU of 7ld3 by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist and an allosteric ligand
分子名称: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A.
登録日2021-01-12
公開日2021-09-08
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
7LD4
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Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist
分子名称: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A.
登録日2021-01-12
公開日2021-09-08
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
2Y2Z
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BU of 2y2z by Molmil
ligand-free form of TetR-like repressor SimR
分子名称: PUTATIVE REPRESSOR SIMREG2
著者Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J.
登録日2010-12-17
公開日2011-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression.
J.Mol.Biol., 408, 2011
2Y06
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BU of 2y06 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE ANTI-(4-HYDROXY-3-NITROPHENYL) - ACETYL MURINE GERMLINE ANTIBODY BBE6.12H3 FAB FRAGMENT IN COMPLEX WITH A PHAGE DISPLAY DERIVED DODECAPEPTIDE GDPRPSYISHLL
分子名称: ANTI-NP MURINE GERMLINE MONOCLONAL ANTIBODY BBE6.12H3, HEAVY CHAIN, LIGHT CHAIN, ...
著者Khan, T, Salunke, D.M.
登録日2010-11-30
公開日2011-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Elucidation of the Mechanistic Basis of Degeneracy in the Primary Humoral Response.
J.Immunol., 188, 2012
2XU6
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BU of 2xu6 by Molmil
MDV1 coiled coil domain
分子名称: MDV1 COILED COIL
著者Koirala, S, Bui, H.T, Schubert, H.L, Eckert, D.M, Hill, C.P, Kay, M.S, Shaw, J.M.
登録日2010-10-14
公開日2010-10-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Architecture of a Dynamin Adaptor: Implications for Assembly of Mitochondrial Fission Complexes
J.Cell Biol., 191, 2010
2XX7
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Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.
分子名称: 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
著者Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
登録日2010-11-09
公開日2011-04-06
最終更新日2011-09-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
2XXH
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Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution.
分子名称: 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
著者Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P.
登録日2010-11-10
公開日2011-04-06
最終更新日2011-09-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011

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