Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
6U3Z
DownloadVisualize
BU of 6u3z by Molmil
Structure of VD20_5A4 Fab
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Dionne, G, Shapiro, L.
登録日2019-08-22
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99002314 Å)
主引用文献Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6W92
DownloadVisualize
BU of 6w92 by Molmil
Human UHRF1 TTD domain
分子名称: E3 ubiquitin-protein ligase UHRF1
著者Campbell, J.C, Chang, L, Sankaran, B, Young, D.W.
登録日2020-03-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
6WAS
DownloadVisualize
BU of 6was by Molmil
Structure of D19.PA8 Fab in complex with 1FD6 16055 V1V2 scaffold
分子名称: 1FD6 16055 V1V2 scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, GN1_PA8 Fab Heavy chain, ...
著者Singh, S, Liban, T.J, Pancera, M.
登録日2020-03-26
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6WIT
DownloadVisualize
BU of 6wit by Molmil
Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold
分子名称: 16055 V1V2 1FD6 Scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, NHP GN1-SD7 Fab Heavy Chain, ...
著者Liban, T, Aljedani, S, Rodarte, J, Pancera, M.
登録日2020-04-10
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6XLZ
DownloadVisualize
BU of 6xlz by Molmil
Structure of NHP D11A.F2 Fab in complex with 16055 V2b peptide
分子名称: (R,R)-2,3-BUTANEDIOL, Envelope glycoprotein gp160, NHP_D11A.F2_Fab_Heavy_chain, ...
著者Aljedani, S, Rodarte, J, Liban, T, Pancera, M.
登録日2020-06-29
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6XSN
DownloadVisualize
BU of 6xsn by Molmil
Crystal structure of NHP VD20.5A4 Fab in complex with 16055 V1V2 1FD6 scaffold
分子名称: 1,2-ETHANEDIOL, 16055_V1V2-1FD6, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Aljedani, S, Pancera, M.
登録日2020-07-15
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
5HG9
DownloadVisualize
BU of 5hg9 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
分子名称: 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG8
DownloadVisualize
BU of 5hg8 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG7
DownloadVisualize
BU of 5hg7 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988)
分子名称: 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one, Epidermal growth factor receptor, SULFATE ION
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-01-27
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG5
DownloadVisualize
BU of 5hg5 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
6VJN
DownloadVisualize
BU of 6vjn by Molmil
Structure of NHP D11A.B5Fab in complex with 16055 V2b peptide
分子名称: D11A.B5 Fab Heavy chain, D11A.B5 Fab Light chain, SODIUM ION, ...
著者Singh, S, Liban, T.J, Pancera, M.
登録日2020-01-16
公開日2021-01-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6VYJ
DownloadVisualize
BU of 6vyj by Molmil
Human UHRF1 TTD domain in complex with a fragment
分子名称: 2,4-dimethylpyridine, E3 ubiquitin-protein ligase UHRF1, beta-D-glucopyranose
著者Campbell, J.C, Chang, L, Young, D.W.
登録日2020-02-26
公開日2021-01-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
8DLE
DownloadVisualize
BU of 8dle by Molmil
Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP
分子名称: 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ...
著者Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D.
登録日2022-07-07
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP.
To Be Published
5UGC
DownloadVisualize
BU of 5ugc by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UG8
DownloadVisualize
BU of 5ug8 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2017-04-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UG9
DownloadVisualize
BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGA
DownloadVisualize
BU of 5uga by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGB
DownloadVisualize
BU of 5ugb by Molmil
Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
分子名称: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor
著者Gajiwala, K.S, Ferre, R.A.
登録日2017-01-07
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
2PNU
DownloadVisualize
BU of 2pnu by Molmil
Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
分子名称: (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Cantin, L, Faucher, F, Couture, J.F, Pereira de Jesus-Tran, K, Legrand, P, Ciobanu, C.L, Singh, S.M, Labrie, F, Breton, R.
登録日2007-04-25
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterization of the Human Androgen Receptor Ligand-binding Domain Complexed with EM5744, a Rationally Designed Steroidal Ligand Bearing a Bulky Chain Directed toward Helix 12.
J.Biol.Chem., 282, 2007
5ED2
DownloadVisualize
BU of 5ed2 by Molmil
Human Adenosine Deaminase Acting on dsRNA (ADAR2) mutant E488Q bound to dsRNA sequence derived from human GLI1 gene
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(P*CP*AP*GP*AP*GP*CP*CP*CP*CP*CP*CP*AP*GP*CP*AP*UP*CP*GP*CP*GP*AP*GP*C)-3'), ...
著者Matthews, M.M, Fisher, A.J.
登録日2015-10-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
5ED1
DownloadVisualize
BU of 5ed1 by Molmil
Human Adenosine Deaminase Acting on dsRNA (ADAR2) mutant E488Q bound to dsRNA sequence derived from S. cerevisiae BDF2 gene
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*CP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ...
著者Matthews, M.M, Fisher, A.J, Beal, P.A.
登録日2015-10-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
7KJS
DownloadVisualize
BU of 7kjs by Molmil
Crystal structure of CDK2/cyclin E in complex with PF-06873600
分子名称: 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者McTigue, M.A, He, Y, Ferre, R.A.
登録日2020-10-26
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5HP2
DownloadVisualize
BU of 5hp2 by Molmil
Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AU basepair at reaction site
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*UP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ...
著者Matthews, M.M, Fisher, A.J, Beal, P.A.
登録日2016-01-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.983 Å)
主引用文献Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
5HP3
DownloadVisualize
BU of 5hp3 by Molmil
Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AC mismatch at reaction site
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*CP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ...
著者Matthews, M.M, Fisher, A.J, Beal, P.A.
登録日2016-01-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.091 Å)
主引用文献Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity.
Nat.Struct.Mol.Biol., 23, 2016
4NFO
DownloadVisualize
BU of 4nfo by Molmil
Crystal Structure Analysis of the 16mer GCAGACUUAAGUCUGC
分子名称: GCAGACUUAAGUCUGC, SPERMINE
著者Beal, P.A, Fisher, A.J, Phelps, K.J, Ibarra-Soza, J.M, Zheng, Y.
登録日2013-10-31
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Click Modification of RNA at Adenosine: Structure and Reactivity of 7-Ethynyl- and 7-Triazolyl-8-aza-7-deazaadenosine in RNA.
Acs Chem.Biol., 9, 2014

219869

件を2024-05-15に公開中

PDB statisticsPDBj update infoContact PDBjnumon