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3PBQ
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Crystal structure of PBP3 complexed with imipenem
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2011-08-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
3PD9
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BU of 3pd9 by Molmil
X-ray structure of the ligand-binding core of GluA2 in complex with (R)-5-HPCA at 2.1 A resolution
分子名称: (5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2010-10-22
公開日2010-12-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
3PBR
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BU of 3pbr by Molmil
Crystal structure of PBP3 complexed with meropenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 3
著者Han, S.
登録日2010-10-20
公開日2010-12-22
最終更新日2012-05-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 107, 2010
8QFY
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BU of 8qfy by Molmil
Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide
分子名称: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Pengelly, R.J, Robinson, R.A.
登録日2023-09-05
公開日2024-05-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献An HLA-E-targeted TCR bispecific molecule redirects T cell immunity against Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 121, 2024
7KLM
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BU of 7klm by Molmil
Human Arginase1 Complexed with Inhibitor Compound 24a
分子名称: 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
7KLL
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BU of 7kll by Molmil
Human Arginase1 Complexed with Inhibitor Compound 18
分子名称: 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
1BWH
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BU of 1bwh by Molmil
THE 1.8 A STRUCTURE OF GROUND CONTROL GROWN TETRAGONAL HEN EGG WHITE LYSOZYME
分子名称: PROTEIN (LYSOZYME)
著者Dong, J, Boggon, T.J, Chayen, N.E, Raftery, J, Bi, R.C.
登録日1998-09-24
公開日1998-09-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bound-solvent structures for microgravity-, ground control-, gel- and microbatch-grown hen egg-white lysozyme crystals at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1BRE
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BU of 1bre by Molmil
IMMUNOGLOBULIN LIGHT CHAIN PROTEIN
分子名称: BENCE-JONES KAPPA I PROTEIN BRE
著者Schormann, N, Benson, M.D.
登録日1995-07-19
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tertiary structure of an amyloid immunoglobulin light chain protein: a proposed model for amyloid fibril formation.
Proc.Natl.Acad.Sci.USA, 92, 1995
7JUZ
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BU of 7juz by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Selumetinib
分子名称: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
分子名称: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
著者Sheriff, S.
登録日2020-08-11
公開日2020-12-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
7JUQ
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BU of 7juq by Molmil
Crystal Structure of KSR2:MEK1 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUR
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BU of 7jur by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUX
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BU of 7jux by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUY
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BU of 7juy by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.096 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JZ6
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BU of 7jz6 by Molmil
The Cryo-EM structure of the Catalase-peroxidase from Escherichia coli
分子名称: Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Su, C.-C.
登録日2020-09-01
公開日2021-01-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
8S9K
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BU of 8s9k by Molmil
Structure of dimeric FAM111A SPD S541A Mutant
分子名称: GLYCEROL, Serine protease FAM111A
著者Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
登録日2023-03-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
7JUU
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BU of 7juu by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7KLK
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BU of 7klk by Molmil
Human Arginase1 Complexed with Inhibitor Compound 3a
分子名称: 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ...
著者Palte, R.L.
登録日2020-10-30
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
8S9L
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BU of 8s9l by Molmil
Structure of monomeric FAM111A SPD V347D Mutant
分子名称: SULFATE ION, Serine protease FAM111A
著者Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
登録日2023-03-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
7L0L
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BU of 7l0l by Molmil
Cryo-EM structure of the VRC316 clinical trial, vaccine-elicited, human antibody 316-310-1B11 in complex with an H2 CAN05 HA trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 316-310-1B11 Heavy Chain, 316-310-1B11 Light Chain, ...
著者Gorman, J, Kwong, P.D.
登録日2020-12-11
公開日2021-11-03
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination.
Nat Med, 28, 2022
1E26
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BU of 1e26 by Molmil
Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent.
分子名称: DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F.
登録日2000-05-17
公開日2001-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+
Biochemistry, 38, 1999
9CWV
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BU of 9cwv by Molmil
Gag CA-SP1 immature lattice from intact enveloped virus-like particles
分子名称: Gag, INOSITOL HEXAKISPHOSPHATE
著者Wu, C, Meuser, M.E, Xiong, Y.
登録日2024-07-30
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9D6C
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BU of 9d6c by Molmil
Gag CA-SP1 immature lattice bound with Lenacapavir and Bevirimat from enveloped virus like particles
分子名称: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag, INOSITOL HEXAKISPHOSPHATE, ...
著者Wu, C, Meuser, M.E, Xiong, Y.
登録日2024-08-14
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9D6D
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BU of 9d6d by Molmil
Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Wu, C, Meuser, M.E, Xiong, Y.
登録日2024-08-14
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (2.18 Å)
主引用文献Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9D6E
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BU of 9d6e by Molmil
Gag CA-SP1 immature lattice bound with Bevirimat from enveloped virus like particles
分子名称: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Wu, C, Meuser, M.E, Xiong, Y.
登録日2024-08-14
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024

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