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7X9G
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BU of 7x9g by Molmil
Crystal structure of human EDA and EDAR
Descriptor: Ectodysplasin-A, secreted form, Tumor necrosis factor receptor superfamily member EDAR
Authors:Yu, K, Wan, F, Huang, C, Wu, J, Lei, M.
Deposit date:2022-03-15
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into pathogenic mechanism of hypohidrotic ectodermal dysplasia caused by ectodysplasin A variants.
Nat Commun, 14, 2023
4V4A
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BU of 4v4a by Molmil
Crystal Structure of the Wild Type Ribosome from E. Coli 70S Ribosome.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Vila-Sanjurjo, A, Ridgeway, W.K, Seymaner, V, Zhang, W, Santoso, S, Yu, K, Cate, J.H.D.
Deposit date:2003-06-13
Release date:2014-07-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (9.5 Å)
Cite:X-ray crystal structures of the WT and a hyper-accurate ribosome from Escherichia coli
Proc.Natl.Acad.Sci.USA, 100, 2003
4V49
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BU of 4v49 by Molmil
Crystal Structure of a Streptomycin Dependent Ribosome from E. Coli 70S Ribosome.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Vila-Sanjurjo, A, Ridgeway, W.K, Seymaner, V, Zhang, W, Santoso, S, Yu, K, Cate, J.H.D.
Deposit date:2003-06-13
Release date:2014-07-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (8.7 Å)
Cite:X-ray Crystal Structures of the WT and a Hyper-Accurate Ribosome From Escherichia Coli
Proc.Natl.Acad.Sci.USA, 100, 2003
4FUL
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BU of 4ful by Molmil
PI3 Kinase Gamma bound to a pyrmidine inhibitor
Descriptor: 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K.
Deposit date:2012-06-28
Release date:2012-10-17
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
7LHT
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BU of 7lht by Molmil
Structure of the LRRK2 dimer
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
7LHW
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BU of 7lhw by Molmil
Structure of the LRRK2 monomer
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
7LI3
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BU of 7li3 by Molmil
Structure of the LRRK2 G2019S mutant
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
7LI4
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BU of 7li4 by Molmil
Structure of LRRK2 after symmetry expansion
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
8GWW
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BU of 8gww by Molmil
Small-molecule Allosteric Regulation Mechanism of SHP2
Descriptor: 2-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, Y, Zhu, J, Yu, K, Liu, B.
Deposit date:2022-09-17
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Small-molecule Allosteric Regulation Mechanism of SHP2
To Be Published
7C6P
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BU of 7c6p by Molmil
Bromodomain-containing 4 BD2 in complex with 3',4',7,8- Tetrahydroxyflavonoid
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4
Authors:Li, J, Yu, K, Luo, Y, Zheng, W, Liang, W, Zhu, J.
Deposit date:2020-05-22
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
8QQ3
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BU of 8qq3 by Molmil
Streptavidin with a Ni-cofactor
Descriptor: 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide, NICKEL (II) ION, Streptavidin
Authors:Zhang, K, Jakob, R.P, Ward, T.R.
Deposit date:2023-10-03
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An artificial nickel chlorinase based on the biotin-streptavidin technology.
Chem.Commun.(Camb.), 60, 2024
6IHT
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BU of 6iht by Molmil
Crystal structure of bacterial serine phosphatase bound with phosphorylated peptide
Descriptor: His12, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.569 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHL
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BU of 6ihl by Molmil
Crystal structure of bacterial serine phosphatase
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-09-30
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHW
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BU of 6ihw by Molmil
Crystal structure of bacterial serine phosphatase bearing R161K mutation
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHV
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BU of 6ihv by Molmil
Crystal structure of bacterial serine phosphatase bearing R161E mutation
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
6IHU
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BU of 6ihu by Molmil
Crystal structure of bacterial serine phosphatase bearing R161A mutation
Descriptor: MAGNESIUM ION, Phosphorylated protein phosphatase
Authors:Yang, C.-G, yang, T.
Deposit date:2018-10-02
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Insight into the Mechanism of Staphylococcus aureus Stp1 Phosphatase.
Acs Infect Dis., 5, 2019
3LJ3
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BU of 3lj3 by Molmil
PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor
Descriptor: (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Bard, J, Svenson, K.
Deposit date:2010-01-25
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).
Bioorg.Med.Chem.Lett., 20, 2010
3MJW
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BU of 3mjw by Molmil
PI3 Kinase gamma with a benzofuranone inhibitor
Descriptor: (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Bard, J, Svenson, K.
Deposit date:2010-04-13
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
5VND
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BU of 5vnd by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527
Descriptor: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ...
Authors:Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A.
Deposit date:2017-04-30
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
3IBE
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BU of 3ibe by Molmil
Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma
Descriptor: 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Bard, J, Svenson, K.
Deposit date:2009-07-15
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines.
J.Med.Chem., 52, 2009
6O5I
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BU of 6o5i by Molmil
Menin in complex with MI-3454
Descriptor: DIMETHYL SULFOXIDE, Menin, SULFATE ION, ...
Authors:Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J.
Deposit date:2019-03-03
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.24025619 Å)
Cite:Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia.
J.Clin.Invest., 130, 2020
3DP1
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BU of 3dp1 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP0
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BU of 3dp0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP2
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BU of 3dp2 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3j
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DOY
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BU of 3doy by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009

 

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