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4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
分子名称: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
分子名称: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
分子名称: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2012-11-06
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4GLR
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BU of 4glr by Molmil
Structure of the anti-ptau Fab (pT231/pS235_1) in complex with phosphoepitope pT231/pS235
分子名称: PHOSPHATE ION, anti-ptau heavy chain, anti-ptau light chain, ...
著者Tu, C, Mosyak, L, Bard, J.
登録日2012-08-14
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition.
J.Biol.Chem., 287, 2012
6Z1B
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BU of 6z1b by Molmil
Structure of K52-acetylated RutR in complex with uracil.
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator RutR, URACIL
著者Kremer, M, Schulze, S, Lammers, M.
登録日2020-05-13
公開日2022-06-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of K52-acetylated RutR in complex with uracil.
To Be Published
6YJM
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BU of 6yjm by Molmil
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972
分子名称: (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ...
著者Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M.
登録日2020-04-03
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
4TOY
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BU of 4toy by Molmil
Structure of 35O22 Fab, a HIV-1 neutralizing antibody
分子名称: 35O22 Fab Heavy chain, 35O22 Fab Light chain
著者Pancera, M, Kwong, P.D.
登録日2014-06-06
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface.
Nature, 515, 2014
1P5T
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BU of 1p5t by Molmil
Crystal Structure of Dok1 PTB Domain
分子名称: Docking protein 1
著者Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yuan, J, Rao, Z.
登録日2003-04-28
公開日2004-02-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.BIOL.CHEM., 279, 2004
3QZZ
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BU of 3qzz by Molmil
3D Structure of Ferric Methanosarcina Acetivorans Protoglobin Y61W mutant in Aquomet form
分子名称: Methanosarcina acetivorans protoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
登録日2011-03-07
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
1B7V
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BU of 1b7v by Molmil
Structure of the C-553 cytochrome from Bacillus pasteruii to 1.7 A resolution
分子名称: HEME C, PROTEIN (CYTOCHROME C-553)
著者Gonzalez, A, Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S.
登録日1999-01-22
公開日2000-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
8A98
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BU of 8a98 by Molmil
CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME : snoRNA MUTANT
分子名称: 40S ribosomal protein S12, 40S ribosomal protein S14, 40S ribosomal protein S19-like protein, ...
著者Rajan, K.S, Yonath, A, Bashan, A.
登録日2022-06-28
公開日2023-10-11
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification.
Cell Rep, 43, 2024
1C75
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BU of 1c75 by Molmil
0.97 A "AB INITIO" CRYSTAL STRUCTURE OF CYTOCHROME C-553 FROM BACILLUS PASTEURII
分子名称: CYTOCHROME C-553, HEME C
著者Benini, S, Ciurli, S, Rypniewski, W.R, Wilson, K.S.
登録日2000-02-09
公開日2000-03-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
6FYZ
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BU of 6fyz by Molmil
Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor
分子名称: (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, Histone deacetylase 4, SODIUM ION, ...
著者Luckhurst, C.A, Maillard, M.C, Dominguez, C.
登録日2018-03-13
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor.
Bioorg. Med. Chem. Lett., 29, 2019
3QZX
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BU of 3qzx by Molmil
3D Structure of ferric methanosarcina acetivorans protoglobin Y61A mutant with unknown ligand
分子名称: GLYCEROL, Methanosarcina acetivorans protoglobin, PHOSPHATE ION, ...
著者Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
登録日2011-03-07
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
3R0G
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BU of 3r0g by Molmil
3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F mutant in Aquomet form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
登録日2011-03-08
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
4INO
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BU of 4ino by Molmil
The crystal structure of Helicobacter pylori Ceue (HP1561)
分子名称: Nickel (II) ABC transporter, periplasmic nickel-binding protein
著者Shaik, M.M, Cendron, L, Zanotti, G.
登録日2013-01-05
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Helicobacter pylori periplasmic receptor CeuE (HP1561) modulates its nickel affinity via organic metallophores.
Mol.Microbiol., 91, 2014
4INP
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BU of 4inp by Molmil
The crystal structure of Helicobacter pylori Ceue (HP1561) with Ni(II) bound
分子名称: ACETATE ION, Iron (III) ABC transporter, periplasmic iron-binding protein, ...
著者Shaik, M.M, Cendron, L, Zanotti, G.
登録日2013-01-05
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Helicobacter pylori periplasmic receptor CeuE (HP1561) modulates its nickel affinity via organic metallophores.
Mol.Microbiol., 91, 2014
4HYU
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BU of 4hyu by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(3-Methanesulfonyl-propoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
著者Kuglstatter, A, Ghate, M.
登録日2012-11-14
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
1UEF
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BU of 1uef by Molmil
Crystal Structure of Dok1 PTB Domain Complex
分子名称: 13-mer peptide from Proto-oncogene tyrosine-protein kinase receptor ret, Docking protein 1
著者Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yan, J, Rao, Z.
登録日2003-05-14
公開日2004-05-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.Biol.Chem., 279, 2004
2GR9
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BU of 2gr9 by Molmil
Crystal structure of P5CR complexed with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, Pyrroline-5-carboxylate reductase 1
著者Meng, Z, Lou, Z, Liu, Z, Rao, Z.
登録日2006-04-23
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human pyrroline-5-carboxylate reductase
J.Mol.Biol., 359, 2006
2GRA
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BU of 2gra by Molmil
crystal structure of Human Pyrroline-5-carboxylate Reductase complexed with nadp
分子名称: GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1
著者Meng, Z, Lou, Z, Liu, Z, Rao, Z.
登録日2006-04-23
公開日2006-10-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human pyrroline-5-carboxylate reductase
J.Mol.Biol., 359, 2006
8GJI
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BU of 8gji by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: GCG binder, Glucagon
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8GJG
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BU of 8gjg by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: gluc_A04_0005, gluc_A04_0005 Binder
著者Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8FG6
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BU of 8fg6 by Molmil
Design of amyloidogenic peptide traps
分子名称: C104.1, amyloidogenic peptide
著者Sahtoe, D.D, Bera, A.K, Baker, D.
登録日2022-12-12
公開日2024-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of amyloidogenic peptide traps.
Nat.Chem.Biol., 2024
4COO
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BU of 4coo by Molmil
Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ...
著者McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-01-29
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014

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