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3FZO
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BU of 3fzo by Molmil
Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase
分子名称: Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZR
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BU of 3fzr by Molmil
Crystal structure of PYK2 complexed with PF-431396
分子名称: N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FUR
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BU of 3fur by Molmil
Crystal Structure of PPARg in complex with INT131
分子名称: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ...
著者Wang, Z, Liu, J, Walker, N.
登録日2009-01-14
公開日2009-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
3ZDV
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BU of 3zdv by Molmil
Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside
分子名称: 1,2-ETHANEDIOL, 2,4,6-trimethylbenzenesulfonamide, CALCIUM ION, ...
著者Hauck, D, Joachim, I, Frommeyer, B, Varrot, A, Philipp, B, MOller, H.M, Imberty, A, Exner, T.E, Titz, A.
登録日2012-11-30
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes.
Acs Chem.Biol., 8, 2013
6HE5
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BU of 6he5 by Molmil
20S core particle of PAN-proteasomes
分子名称: Proteasome subunit alpha, Proteasome subunit beta, Proteasome-activating nucleotidase
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6TMO
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BU of 6tmo by Molmil
Structure determination of an enhanced affinity TCR, a24b17, in complex with HLA-A*02:01 presenting a MART-1 peptide, EAAGIGILTV
分子名称: 1,2-ETHANEDIOL, Alpha chain of engineered high affinity T-cell receptor, Beta chain of high affinity engineered T-cell receptor, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2019-12-05
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Rules Underpinning Enhanced Affinity Binding of Human T Cell Receptors Engineered for Immunotherapy.
Mol Ther Oncolytics, 18, 2020
6HE9
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BU of 6he9 by Molmil
PAN-proteasome in state 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.35 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3FTZ
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BU of 3ftz by Molmil
Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline
分子名称: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
6TOU
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BU of 6tou by Molmil
Rabies virus glycoprotein PH domain in complex with the scFv fragment of broadly neutralizing human antibody RVC20
分子名称: CALCIUM ION, CHLORIDE ION, Glycoprotein,Glycoprotein, ...
著者Hellert, J, Rey, F.A.
登録日2019-12-12
公開日2020-02-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.587 Å)
主引用文献Structure of the prefusion-locking broadly neutralizing antibody RVC20 bound to the rabies virus glycoprotein.
Nat Commun, 11, 2020
6HEA
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BU of 6hea by Molmil
PAN-proteasome in state 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.04 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4AGA
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BU of 4aga by Molmil
Hofmeister effects of ionic liquids in protein crystallization: direct and water-mediated interactions
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Mukhopadhyay, A, Carvalho, A.L, Romao, M.J.
登録日2012-01-25
公開日2012-07-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions
Cryst.Eng.Comm., 14, 2012
6HE8
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BU of 6he8 by Molmil
PAN-proteasome in state 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.86 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6HVE
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BU of 6hve by Molmil
Kinase domain of cSrc in complex with compound 9
分子名称: Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide
著者Keul, M, Mueller, M.P, Rauh, D.
登録日2018-10-10
公開日2019-10-23
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
3FZP
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BU of 3fzp by Molmil
Crystal structure of PYK2 complexed with ATPgS
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
6HXW
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BU of 6hxw by Molmil
structure of human CD73 in complex with antibody IPH53
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, IPH53 heavy chain, ...
著者Roussel, A, Amigues, B.
登録日2018-10-18
公開日2019-08-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Blocking Antibodies Targeting the CD39/CD73 Immunosuppressive Pathway Unleash Immune Responses in Combination Cancer Therapies.
Cell Rep, 27, 2019
6HCL
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BU of 6hcl by Molmil
Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside
著者Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
登録日2018-08-15
公開日2019-07-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
4AFG
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BU of 4afg by Molmil
Capitella teleta AChBP in complex with varenicline
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CAPITELLA TELETA ACHBP, VARENICLINE, ...
著者Brams, M, Ulens, C, Spurny, R.
登録日2012-01-19
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Molecular Actions of Smoking Cessation Drugs at Alpha4Beta2 Nicotinic Receptors Defined in Crystal Structures of a Homologous Binding Protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
6SMB
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BU of 6smb by Molmil
Human jak1 kinase domain in complex with inhibitor
分子名称: Tyrosine-protein kinase JAK1, ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
著者Read, J.A, Steuber, H.
登録日2019-08-21
公開日2020-04-29
最終更新日2020-05-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
6HED
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BU of 6hed by Molmil
PAN-proteasome in state 5
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.95 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3GAT
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BU of 3gat by Molmil
SOLUTION NMR STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, 34 STRUCTURES
分子名称: DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ...
著者Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M.
登録日1997-11-07
公開日1998-01-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution.
Nat.Struct.Biol., 4, 1997
3FZS
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BU of 3fzs by Molmil
Crystal Structure of PYK2 complexed with BIRB796
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta
著者Han, S.
登録日2009-01-26
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
6U80
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BU of 6u80 by Molmil
Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6I9R
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BU of 6i9r by Molmil
Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin
分子名称: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
著者Modelska, A, Aibara, S, Amunts, A.
登録日2018-11-25
公開日2020-07-08
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth.
Cell Rep, 35, 2021
4AMI
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BU of 4ami by Molmil
Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol
分子名称: 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10
著者Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
登録日2012-03-11
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
6HWR
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BU of 6hwr by Molmil
Red kidney bean purple acid phosphatase in complex with adenosine divanadate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2018-10-13
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019

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