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8YP3
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BU of 8yp3 by Molmil
Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc
分子名称: MAGNESIUM ION, SULFATE ION, UDP-N-acetylglucosamine diphosphorylase, ...
著者Lu, Q, Liu, T, Zhou, Y, Yang, Q.
登録日2024-03-15
公開日2024-08-07
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway.
J.Agric.Food Chem., 72, 2024
7DMN
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BU of 7dmn by Molmil
Crystal structure of two pericyclases catalyzing [4+2] cycloaddition
分子名称: Diels-Alderase fsa2, GLYCEROL
著者Chi, C.B, Wang, Z.D, Liu, T, Zhang, Z.Y, Ma, M.
登録日2020-12-04
公開日2021-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Fsa2 and Phm7 Catalyzing [4 + 2] Cycloaddition Reactions with Reverse Stereoselectivities in Equisetin and Phomasetin Biosynthesis.
Acs Omega, 6, 2021
1RES
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BU of 1res by Molmil
DETERMINATION OF THE STRUCTURE OF THE DNA BINDING DOMAIN OF GAMMA DELTA RESOLVASE IN SOLUTION
分子名称: GAMMA DELTA-RESOLVASE
著者Mullen, G.P.
登録日1994-06-29
公開日1994-11-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Determination of the structure of the DNA binding domain of gamma delta resolvase in solution.
Protein Sci., 3, 1994
1RET
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BU of 1ret by Molmil
DETERMINATION OF THE STRUCTURE OF THE DNA BINDING DOMAIN OF GAMMA DELTA RESOLVASE IN SOLUTION
分子名称: GAMMA DELTA-RESOLVASE
著者Mullen, G.P.
登録日1994-06-29
公開日1994-11-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Determination of the structure of the DNA binding domain of gamma delta resolvase in solution.
Protein Sci., 3, 1994
7CU6
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BU of 7cu6 by Molmil
lasso peptide C24 mutant - A11V2C
分子名称: lasso peptide C24_A11V2C
著者Ma, M, Liu, X.H.
登録日2020-08-21
公開日2021-08-25
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
8TBU
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BU of 8tbu by Molmil
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ...
著者Jin, L, Padyana, A.
登録日2023-06-29
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 19, 2024
8TBT
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BU of 8tbt by Molmil
Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ...
著者Jin, L, Padyana, A.
登録日2023-06-29
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 19, 2024
8TBS
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Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ...
著者Jin, L, Padyana, A.
登録日2023-06-29
公開日2023-12-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Design of AG-946, a Pyruvate Kinase Activator.
Chemmedchem, 19, 2024
2HH7
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BU of 2hh7 by Molmil
Crystal Structure of Cu(I) bound CsoR from Mycobacterium tuberculosis.
分子名称: COPPER (I) ION, Hypothetical protein CsoR
著者Sacchettini, J.C, Ramesh, A.
登録日2006-06-27
公開日2006-12-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献CsoR is a novel Mycobacterium tuberculosis copper-sensing transcriptional regulator.
Nat.Chem.Biol., 3, 2007
3WMC
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BU of 3wmc by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase
著者Chen, L, Zhou, Y, Chen, L, Yang, Q.
登録日2013-11-16
公開日2014-11-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
4CSG
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BU of 4csg by Molmil
Structural insights into Toscana virus RNA encapsidation
分子名称: NUCLEOPROTEIN
著者Olal, D, Daumke, O.
登録日2014-03-07
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural Insights Into RNA Encapsidation and Helical Assembly of the Toscana Virus Nucleoprotein.
Nucleic Acids Res., 42, 2014
9JDU
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BU of 9jdu by Molmil
The crystal structure of PDE10A complexed with inhibitor 2061
分子名称: MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ...
著者Huang, Y.-Y, Guo, L, Luo, H.-B.
登録日2024-09-01
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.3000176 Å)
主引用文献Discovery of novel azetidine-based imidazopyridines as selective and orally bioavailable inhibitors of phosphodiesterase 10A for the treatment of pulmonary arterial hypertension.
Eur.J.Med.Chem., 290, 2025
7PTD
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BU of 7ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT R163K
分子名称: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
著者Heinz, D.W.
登録日1997-07-18
公開日1998-01-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
5PTD
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BU of 5ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32A
分子名称: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
著者Heinz, D.W.
登録日1997-07-18
公開日1998-01-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
7PJF
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BU of 7pjf by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
分子名称: Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
登録日2021-08-24
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
7PJE
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BU of 7pje by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
分子名称: Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
登録日2021-08-24
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
6PTD
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BU of 6ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT H32L
分子名称: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
著者Heinz, D.W.
登録日1997-07-18
公開日1998-01-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
7FG9
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BU of 7fg9 by Molmil
Alpha-1,2-glucosyltransferase_UDP_tll1591
分子名称: Glycosyl transferase, URIDINE-5'-DIPHOSPHATE
著者Su, J.Y.
登録日2021-07-26
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family
Acta Biochim.Biophys.Sin., 54, 2022
7FGA
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BU of 7fga by Molmil
Alpha-1,2-glucosyltransferase_UDP_sucrose_tll1591
分子名称: Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-1)-alpha-D-fructofuranose
著者Su, J.Y.
登録日2021-07-26
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family
Acta Biochim.Biophys.Sin., 54, 2022
6M6U
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BU of 6m6u by Molmil
Crystal structure the toxin-antitoxin MntA-HpeT mutant-D39ED41E
分子名称: Toxin-antitoxin system antitoxin MntA family, Toxin-antitoxin system toxin HepN family
著者Ouyang, S.Y, Zhen, X.K.
登録日2020-03-16
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Novel polyadenylylation-dependent neutralization mechanism of the HEPN/MNT toxin/antitoxin system.
Nucleic Acids Res., 48, 2020
7MTD
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BU of 7mtd by Molmil
Structure of aged SARS-CoV-2 S2P spike at pH 7.4
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, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
7MTE
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BU of 7mte by Molmil
Structure of SARS-CoV-2 S2P spike at pH 7.4 refolded by low-pH treatment
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, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
7MTC
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BU of 7mtc by Molmil
Structure of freshly purified SARS-CoV-2 S2P spike at pH 7.4
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, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
8FIS
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BU of 8fis by Molmil
Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2022-12-16
公開日2023-02-01
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency.
Mabs, 15, 2023
7M4T
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BU of 7m4t by Molmil
Menin bound to M-1121
分子名称: Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate
著者Stuckey, J.
登録日2021-03-22
公開日2021-08-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021

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