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1VZU
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BU of 1vzu by Molmil
Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE
分子名称: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Zhang, Y, Deshpande, A, Xie, Z, Natesh, R, Acharya, K.R, Brew, K.
登録日2004-05-27
公開日2004-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase.
Glycobiology, 14, 2004
1O7O
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BU of 1o7o by Molmil
Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
分子名称: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
著者Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
登録日2002-11-11
公開日2003-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Roles of individual enzyme-substrate interactions by alpha-1,3-galactosyltransferase in catalysis and specificity.
Biochemistry, 42, 2003
1O7Q
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Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
分子名称: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
登録日2002-11-12
公開日2003-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity.
Biochemistry, 42, 2003
1VZX
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BU of 1vzx by Molmil
Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE
分子名称: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Zhang, Y, Deshpande, A, Xie, Z, Natesh, R, Acharya, K.R, Brew, K.
登録日2004-05-28
公開日2004-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase.
Glycobiology, 14, 2004
8GT6
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BU of 8gt6 by Molmil
human STING With agonist HB3089
分子名称: 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein
著者Wang, Z, Yu, X.
登録日2022-09-07
公開日2022-12-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
8GSZ
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BU of 8gsz by Molmil
Structure of STING SAVI-related mutant V147L
分子名称: Stimulator of interferon genes protein
著者Wang, Z, Yu, X.
登録日2022-09-07
公開日2022-12-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
8F92
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BU of 8f92 by Molmil
HIV Env BG505_MD39_B11 SOSIP boosting trimer in complex with B11_d77.7 mouse Fab and RM20A3 Fab
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, B11_d77.7 Fab heavy chain, ...
著者Torres, J.L, Ozorowski, G, Ward, A.B.
登録日2022-11-23
公開日2024-05-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
8F9M
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HIV Env germline targeting BG505_MD64_N332-GT5 SOSIP in complex with V3-glycan polyclonal Fab isolated from immunized wild type mice, and NHP monoclonal Fab RM20A3
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, BG505_MD64_N332-GT5 gp120, ...
著者Ozorowski, G, Ward, A.B.
登録日2022-11-23
公開日2024-05-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
8F9G
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BU of 8f9g by Molmil
HIV Env germline targeting BG505_MD64_N332-GT5 SOSIP in complex with V3-glycan polyclonal Fab isolated from immunized BG18HCgl knock-in mice
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, BG505_MD64_N332-GT5 gp120, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2022-11-23
公開日2024-05-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
8VFV
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BU of 8vfv by Molmil
HIV Env BG505_MD39_B16 SOSIP boosting trimer in complex with B16_d77.5 mouse Fab and RM20A3 Fab
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, B16_d77.5 mouse Fab heavy chain Fv, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-12-22
公開日2024-05-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
1VZT
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BU of 1vzt by Molmil
ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, X, Acharya, K.R, Brew, K.
登録日2004-05-26
公開日2005-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity.
Biochemistry, 42, 2003
8XJJ
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BU of 8xjj by Molmil
Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018
分子名称: 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1
著者Ren, X.
登録日2023-12-21
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers.
Mol.Cancer Ther., 2024
4XFV
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BU of 4xfv by Molmil
Crystal Structure of Elp2
分子名称: Elongator complex protein 2
著者Lin, Z, Dong, C, Long, J, Shen, Y.
登録日2014-12-29
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The elp2 subunit is essential for elongator complex assembly and functional regulation
Structure, 23, 2015
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
分子名称: Lipolytic enzyme, G-D-S-L family
著者Ko, T.-P, Chen, C.-C, Guo, R.-T.
登録日2020-03-26
公開日2020-05-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
2H29
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BU of 2h29 by Molmil
Crystal structure of Nicotinic acid mononucleotide Adenylyltransferase from Staphylococcus aureus: product bound form 1
分子名称: NICOTINIC ACID ADENINE DINUCLEOTIDE, Probable nicotinate-nucleotide adenylyltransferase
著者Han, S.
登録日2006-05-18
公開日2006-08-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
2H2A
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BU of 2h2a by Molmil
Crystal structure of Nicotinic acid mononucleotide adenylyltransferase from Staphylococcus aureus: product bound form 2
分子名称: CALCIUM ION, GLYCEROL, NICOTINIC ACID ADENINE DINUCLEOTIDE, ...
著者Han, S.
登録日2006-05-18
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
6UW6
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BU of 6uw6 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UW9
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Cryo-EM structure of the human TRPV3 K169A mutant in the presence of 2-APB, determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.33 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UW4
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BU of 6uw4 by Molmil
Cryo-EM structure of human TRPV3 determined in lipid nanodisc
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UW8
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BU of 6uw8 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant briefly exposed to 2-APB for 3 minutes, determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
3WOH
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BU of 3woh by Molmil
Structure of Ketoreductase SiaM from Streptomyces sp. A7248
分子名称: SiaM
著者Wang, H, Zhang, H.
登録日2013-12-29
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into the tetramerization of an iterative ketoreductase siam through aromatic residues in the interfaces
Plos One, 9, 2014
8H6T
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Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
2QLU
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BU of 2qlu by Molmil
Crystal structure of Activin receptor type II kinase domain from human
分子名称: ADENINE, Activin receptor type IIB, SULFATE ION
著者Han, S.
登録日2007-07-13
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of activin receptor type IIB kinase domain from human at 2.0 Angstrom resolution
Protein Sci., 16, 2007
6W35
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A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
著者Cuozzo, J.W.
登録日2020-03-09
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020

 

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