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6N3W
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Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[3-Phenyl-1-Ethyl]Carbamoyl Guanosine
分子名称: 5'-O-[(2-phenylethyl)carbamoyl]guanosine, Histidine triad nucleotide-binding protein 1
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6N3Y
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Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[(3-Indolyl)-1-Ethyl]Carbamoyl Guanosine
分子名称: 5'-O-{[2-(1H-indol-3-yl)ethyl]carbamoyl}guanosine, CHLORIDE ION, Histidine triad nucleotide-binding protein 1
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
1S9J
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X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A.
登録日2004-02-04
公開日2004-11-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
6N3V
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Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Ethyl]Carbamoyl Guanosine
分子名称: 5'-O-(ethylcarbamoyl)guanosine, CHLORIDE ION, Histidine triad nucleotide-binding protein 1
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
6N3X
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BU of 6n3x by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Benzyl]Carbamoyl Guanosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(benzylcarbamoyl)guanosine, CHLORIDE ION, ...
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
1S9I
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X-ray structure of the human mitogen-activated protein kinase kinase 2 (MEK2)in a complex with ligand and MgATP
分子名称: 5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 2, ...
著者Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A.
登録日2004-02-04
公開日2004-11-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
4JIB
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BU of 4jib by Molmil
Crystal structure of of PDE2-inhibitor complex
分子名称: 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Pandit, J.
登録日2013-03-05
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5ZGG
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BU of 5zgg by Molmil
NMR structure of p75NTR transmembrane domain in complex with NSC49652
分子名称: (2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one, Tumor necrosis factor receptor superfamily member 16
著者Lin, Z, Ibanez, C.
登録日2018-03-08
公開日2019-03-13
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献A Small Molecule Targeting the Transmembrane Domain of Death Receptor p75NTRInduces Melanoma Cell Death and Reduces Tumor Growth.
Cell Chem Biol, 25, 2018
3AFP
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BU of 3afp by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form I)
分子名称: CADMIUM ION, GLYCEROL, Single-stranded DNA-binding protein
著者Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
登録日2010-03-10
公開日2010-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
3AFQ
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BU of 3afq by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form II)
分子名称: Single-stranded DNA-binding protein
著者Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
登録日2010-03-10
公開日2010-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
8BSE
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BU of 8bse by Molmil
CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab
分子名称: 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
8BSF
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CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
8R5U
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VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8R5T
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BU of 8r5t by Molmil
Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
分子名称: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
4AYK
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BU of 4ayk by Molmil
CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, 30 STRUCTURES
分子名称: CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, PROTEIN (COLLAGENASE), ...
著者Powers, R, Moy, F.J.
登録日1999-02-01
公開日1999-06-05
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound.
Biochemistry, 38, 1999
8VDG
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BU of 8vdg by Molmil
Cryo-EM structure of human monoclonal antibody C74 targeting IT4VAR22 CIDRa1.7
分子名称: C74 Fab heavy chain, C74 Fab kappa chain, Erythrocyte membrane protein 1
著者Raghavan, S.S.R, Ward, A.B.
登録日2023-12-15
公開日2024-10-02
最終更新日2024-12-18
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Broadly inhibitory antibodies to severe malaria virulence proteins.
Nature, 636, 2024
8VDF
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Cryo-EM structure of human monoclonal antibody C7 targeting IT4VAR22 CIDRa1.7 (PfEMP1 A)
分子名称: C7 Fab heavy chain, C7 Fab lamda chain, Erythrocyte membrane protein 1
著者Raghavan, S.S.R, Ward, A.B.
登録日2023-12-15
公開日2024-10-02
最終更新日2024-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Broadly inhibitory antibodies to severe malaria virulence proteins.
Nature, 636, 2024
8VDL
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HB3VAR03 CIDRa1.4 domain with C7 Fab
分子名称: C7 Heavy Chain, C7 Light Chain, HB3VAR03 CIDRa1.4 domain, ...
著者Hurlburt, N.K, Pancera, M.
登録日2023-12-15
公開日2024-10-09
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Broadly inhibitory antibodies to severe malaria virulence proteins.
Nature, 636, 2024
9BHB
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Cryo-EM structure of human monoclonal antibody C74 targeting PFD1235w (CIDRa1.6) PfEMP1
分子名称: C74 heavy chain, C74 kappa chain, Erythrocyte membrane protein 1, ...
著者Raghavan, S.S.R, Ward, A.B.
登録日2024-04-19
公開日2024-10-02
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Broadly inhibitory antibodies to severe malaria virulence proteins.
Nature, 636, 2024
7UCW
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Structure of mouse Decr1 in complex with 2'-5' oligoadenylate
分子名称: Decr1 protein, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
著者Govande, A.A, Kranzusch, P.J.
登録日2022-03-17
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献RNase L-activating 2'-5' oligoadenylates bind ABCF1, ABCF3 and Decr-1.
J.Gen.Virol., 104, 2023
7CEC
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Structure of alpha6beta1 integrin in complex with laminin-511
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, CALCIUM ION, ...
著者Arimori, T, Miyazaki, N, Takagi, J.
登録日2020-06-22
公開日2021-06-23
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural mechanism of laminin recognition by integrin.
Nat Commun, 12, 2021
7CEA
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Crystal structure of HUTS-4 Fv-clasp fragment
分子名称: HUTS-4 VH(S112C)-SARAH, HUTS-4 VL(C87Y)-SARAH(S37C)
著者Arimori, T, Takagi, J.
登録日2020-06-22
公開日2021-06-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural mechanism of laminin recognition by integrin.
Nat Commun, 12, 2021
7CEB
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Crystal structure of alpha6beta1 integrin headpiece
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-6, ...
著者Arimori, T, Takagi, J.
登録日2020-06-22
公開日2021-06-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structural mechanism of laminin recognition by integrin.
Nat Commun, 12, 2021
7BJ9
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Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-01-14
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21000588 Å)
主引用文献2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
7BJ8
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Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021

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