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PDB: 3275 件
8EXU
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Crystal structure of PI3K-alpha in complex with compound 30
分子名称: (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
登録日2022-10-25
公開日2022-11-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
8EXV
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Crystal structure of PI3K-alpha in complex with compound 32
分子名称: N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E.
登録日2022-10-25
公開日2022-11-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
2X3U
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Ferredoxin-NADP reductase mutant with Tyr 303 replaced by Phe (Y303F)
分子名称: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Sanchez-Azqueta, A, Medina, M.
登録日2010-01-27
公開日2010-05-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Role of Specific Residues in Coenzyme Binding, Charge-Transfer Complex Formation, and Catalysis in Anabaena Ferredoxin Nadp(+)-Reductase.
Biochim.Biophys.Acta, 1797, 2010
5J3N
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C-terminal domain of EcoR124I HsdR subunit fused with the pH-sensitive GFP variant ratiometric pHluorin
分子名称: Green fluorescent protein,HsdR
著者Grinkevich, P, Iermak, I, Luedtke, N, Mesters, J.R, Ettrich, R, Ludwig, J.
登録日2016-03-31
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of a novel domain of the motor subunit of the Type I restriction enzyme EcoR124 involved in complex assembly and DNA binding.
J. Biol. Chem., 293, 2018
8EOP
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Cryo-EM Structure of Nanodisc reconstituted human ABCA7 EQ mutant in ATP bound closed state
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, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Alam, A, Le, L.T.M, Thompson, J.R.
登録日2022-10-04
公開日2022-12-21
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms.
Embo J., 42, 2023
8F8Y
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PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8F8Z
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PHF2 (PHD+JMJ) in Complex with H3 Histone N-Terminal Peptide
分子名称: 1,2-ETHANEDIOL, H3 N-Terminal Peptide, Lysine-specific demethylase PHF2, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
5JOF
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Crystal structure of VRC03 gHVgLV antigen-binding fragment.
分子名称: SULFATE ION, VRC03 gHV heavy chain, VRC03 gLV light chain
著者Joyce, M.G, Mascola, J.R, Kwong, P.D.
登録日2016-05-02
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.208 Å)
主引用文献Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
5K6B
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BU of 5k6b by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9 DS-Cav1 variant.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, SULFATE ION
著者Joyce, M.G, Zhang, B, Rundlet, E.J, Mascola, J.R, Kwong, P.D.
登録日2016-05-24
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.981 Å)
主引用文献Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5JXA
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BU of 5jxa by Molmil
Crystal structure of ligand-free VRC03 antigen-binding fragment.
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ...
著者Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D.
登録日2016-05-12
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
5SV4
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BU of 5sv4 by Molmil
Anti-Ricin A-chain Single Domain Antibody A3C8
分子名称: SULFATE ION, Single Domain Antibody A3C8
著者Compton, J.R, Legler, P.M.
登録日2016-08-04
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies.
MAbs, 9, 2017
5JR1
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Crystal structure of 10E8 gHV-matureL antigen-binding fragment.
分子名称: 10E8 heavy chain, 10E8 mature light chain, ZINC ION
著者Joyce, M.G, Mascola, J.R, Kwong, P.D.
登録日2016-05-05
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8.
Plos One, 11, 2016
8UTG
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An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome
分子名称: AMMONIUM ION, POTASSIUM ION, RNA (5'-R(*UP*AP*UP*GP*GP*AP*AP*GP*AP*GP*GP*CP*GP*GP*UP*UP*GP*GP*UP*AP*U)-3')
著者Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L.
登録日2023-10-31
公開日2024-06-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of an RNA G-quadruplex from the West Nile virus genome.
Nat Commun, 15, 2024
5SZX
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Epstein-Barr virus Zta DNA binding domain homodimer in complex with methylated DNA
分子名称: DNA (5'-D(*AP*AP*GP*CP*AP*CP*TP*GP*AP*GP*(5CM)P*GP*AP*TP*GP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*CP*AP*TP*(5CM)P*GP*CP*TP*CP*AP*GP*TP*GP*CP*T)-3'), PHOSPHATE ION, ...
著者Hong, S, Horton, J.R, Cheng, X.
登録日2016-08-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta.
Nucleic Acids Res., 45, 2017
2Y7Z
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
5K4L
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Crystal structure of KDM5A in complex with a naphthyridone inhibitor
分子名称: Lysine-specific demethylase 5A, NICKEL (II) ION, Unknown Peptide, ...
著者Kiefer, J.R, Vinogradova, M.V.
登録日2016-05-20
公開日2016-08-10
最終更新日2016-09-07
実験手法X-RAY DIFFRACTION (3.179 Å)
主引用文献Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
2Y82
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y81
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
分子名称: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
登録日2011-02-02
公開日2011-03-16
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2ZRA
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MsRecA Q196E ATPgS
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2008-08-27
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes
Acta Crystallogr.,Sect.D, 64, 2008
2ZRG
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MsRecA Q196N dATP form II'
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA
著者Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2008-08-27
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes
Acta Crystallogr.,Sect.D, 64, 2008
2ZRP
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MsRecA dATP form II'
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA
著者Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2008-08-27
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes
Acta Crystallogr.,Sect.D, 64, 2008
2ZR7
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Msreca native form II'
分子名称: PHOSPHATE ION, Protein recA
著者Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2008-08-25
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes
Acta Crystallogr.,Sect.D, 64, 2008
2ZRF
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MsRecA Q196N dATP form IV
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA
著者Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2008-08-27
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes
Acta Crystallogr.,Sect.D, 64, 2008
2ZRN
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MsRecA Form IV
分子名称: GLYCEROL, PHOSPHATE ION, Protein recA
著者Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2008-08-27
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes
Acta Crystallogr.,Sect.D, 64, 2008
2ZR9
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MsRecA Q196E dATP form IV
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2008-08-27
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes
Acta Crystallogr.,Sect.D, 64, 2008

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