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1NVQ
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BU of 1nvq by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/UCN-01
分子名称: 7-HYDROXYSTAUROSPORINE, Peptide ASVSA, SULFATE ION, ...
著者Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
登録日2003-02-04
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1NVR
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BU of 1nvr by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine
分子名称: Peptide ASVSA, STAUROSPORINE, SULFATE ION, ...
著者Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
登録日2003-02-04
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
1NVS
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BU of 1nvs by Molmil
The Complex Structure Of Checkpoint Kinase Chk1/SB218078
分子名称: Peptide ASVSA, REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE, SULFATE ION, ...
著者Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B.
登録日2003-02-04
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Chk1 Inhibition by UCN-01
J.Biol.Chem., 277, 2002
3KKV
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BU of 3kkv by Molmil
Structure of PKA with a protein Kinase B-selective inhibitor.
分子名称: (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
著者Elkins, P.A, Concha, N.O.
登録日2009-11-06
公開日2010-12-22
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
1A8A
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BU of 1a8a by Molmil
RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOSERINE
分子名称: ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLSERINE
著者Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A.
登録日1998-03-23
公開日1998-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
1A8B
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BU of 1a8b by Molmil
RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOETHANOLAMINE
分子名称: ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE
著者Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A.
登録日1998-03-23
公開日1998-06-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
5DE1
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BU of 5de1 by Molmil
Crystal structure of human IDH1 in complex with GSK321A
分子名称: (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Concha, N.O, Smallwood, A, Qi, H.
登録日2015-08-25
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
分子名称: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
著者Concha, N.O, William, S.P, Wenzel, D.L.
登録日2021-11-30
公開日2022-01-12
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
6DXL
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BU of 6dxl by Molmil
Linked amidobenzimidazole STING agonist
分子名称: 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein
著者Concha, N.O.
登録日2018-06-29
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
6DXG
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BU of 6dxg by Molmil
amidobenzimidazole (ABZI) STING agonists
分子名称: 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein
著者Concha, N.O.
登録日2018-06-28
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
分子名称: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH4
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BU of 5kh4 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) with FARNESYL DIPHOSPHATE
分子名称: FARNESYL DIPHOSPHATE, Isoprenyl transferase
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH2
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BU of 5kh2 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)
分子名称: Isoprenyl transferase
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
4L03
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BU of 4l03 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L04
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BU of 4l04 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L06
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BU of 4l06 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
著者Concha, N.O, Smallwood, A.M.
登録日2013-05-30
公開日2013-07-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
8SYC
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BU of 8syc by Molmil
Crystal structure of PDE3B in complex with GSK4394835A
分子名称: MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
著者Concha, N.O, Nolte, R.
登録日2023-05-25
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.
J.Med.Chem., 67, 2024
7T0R
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BU of 7t0r by Molmil
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
著者Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
登録日2021-11-30
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
4ZNB
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BU of 4znb by Molmil
METALLO-BETA-LACTAMASE (C181S MUTANT)
分子名称: METALLO-BETA-LACTAMASE, SODIUM ION, ZINC ION
著者Li, Z, Herzberg, O.
登録日1998-10-20
公開日1999-06-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural consequences of the active site substitution Cys181 --> Ser in metallo-beta-lactamase from Bacteroides fragilis.
Protein Sci., 8, 1999
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