Loading
PDBj
メニューPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

8CNM
DownloadVisualize
BU of 8cnm by Molmil
Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose
分子名称: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2023-02-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
7MAF
DownloadVisualize
BU of 7maf by Molmil
HIV-1 Protease (I84V) in Complex with PU2 (LR2-79)
分子名称: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献HIV-1 Protease (I84V) in Complex with PU2 (LR2-79)
To Be Published
7MAB
DownloadVisualize
BU of 7mab by Molmil
HIV-1 Protease (I84V) in Complex with GS-8374
分子名称: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献HIV-1 Protease (I84V) in Complex with GS-8374
To Be Published
6VPY
DownloadVisualize
BU of 6vpy by Molmil
I33M (I3.2 mutant from CH103 Lineage)
分子名称: CHLORIDE ION, GLYCEROL, I33M heavy chain, ...
著者Fera, D, Zhou, J.
登録日2020-02-04
公開日2020-07-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献The Effects of Framework Mutations at the Variable Domain Interface on Antibody Affinity Maturation in an HIV-1 Broadly Neutralizing Antibody Lineage.
Front Immunol, 11, 2020
7LLQ
DownloadVisualize
BU of 7llq by Molmil
Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity
分子名称: 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ...
著者Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M.
登録日2021-02-04
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
4R4K
DownloadVisualize
BU of 4r4k by Molmil
Crystal structure of a cystatin-like protein (BACCAC_01506) from Bacteroides caccae ATCC 43185 at 1.69 A resolution
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, ACETATE ION, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-08-19
公開日2014-10-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of a hypothetical protein (BACCAC_01506) from Bacteroides caccae ATCC 43185 at 1.69 A resolution
To be published
4QSX
DownloadVisualize
BU of 4qsx by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine
分子名称: 1,2-ETHANEDIOL, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, ATPase family AAA domain-containing protein 2, ...
著者Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-06
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
4WBE
DownloadVisualize
BU of 4wbe by Molmil
Crystal structure of the HR-1 domain of human caprin-1 in the C121 space group
分子名称: Caprin-1
著者Wu, Y, Zhu, J, Huang, X, Du, Z.
登録日2014-09-03
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the HR-1 domain of human caprin-1 in the C121 space group
To be published
8U8B
DownloadVisualize
BU of 8u8b by Molmil
Cryo-EM structure of LRRK2 bound to type II inhibitor rebastinib
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
著者Zhu, H, Sun, J.
登録日2023-09-16
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM.
Cell Discov, 10, 2024
7P1A
DownloadVisualize
BU of 7p1a by Molmil
Carbonic Anhydrase VII Sultam Based Inhibitors
分子名称: 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2021-07-01
公開日2021-11-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain.
Eur.J.Med.Chem., 227, 2021
8F29
DownloadVisualize
BU of 8f29 by Molmil
Yeast ATP synthase in conformation-1 at pH 6
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP synthase protein 8, ATP synthase subunit 4, ...
著者Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M.
登録日2022-11-07
公開日2024-02-07
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
6YID
DownloadVisualize
BU of 6yid by Molmil
Crystal structure of ULK2 in complex with SBI-0206965
分子名称: 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid, Serine/threonine-protein kinase ULK2
著者Chaikuad, A, Ren, H, Bakas, N.A, Lambert, L.J, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer.
J.Med.Chem., 63, 2020
6W3A
DownloadVisualize
BU of 6w3a by Molmil
Structure of unphosphorylated IRE1 in complex with G-7658
分子名称: Serine/threonine-protein kinase/endoribonuclease IRE1, ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide
著者Ferri, E, Wang, W, Joachim, R, Mortara, K.
登録日2020-03-09
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
7OZB
DownloadVisualize
BU of 7ozb by Molmil
FGFR1 kinase domain (residues 458-765) with mutations C488A, C584S in complex with 38.
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-piperazin-4-ium-1-ylphenyl)-1H-indazol-6-yl]phenol, Fibroblast growth factor receptor 1, ...
著者Trinh, C.H, Turner, L.D, Fishwick, C.W.G.
登録日2021-06-27
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.
J.Med.Chem., 65, 2022
6YG3
DownloadVisualize
BU of 6yg3 by Molmil
Crystal structure of MKK7 (MAP2K7) covalently bound with CPT1-70-1
分子名称: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
著者Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6OOB
DownloadVisualize
BU of 6oob by Molmil
Human CYP3A4 bound to a suicide substrate
分子名称: 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F.
登録日2019-04-22
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin.
Int J Mol Sci, 20, 2019
8OZW
DownloadVisualize
BU of 8ozw by Molmil
Imine Reductase from Ajellomyces dermatitidis in complex NADPH4
分子名称: 1,2-ETHANEDIOL, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, Oxidoreductase
著者Sharma, M, Grogan, G.
登録日2023-05-09
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms.
Acta Crystallogr.,Sect.F, 79, 2023
8TS6
DownloadVisualize
BU of 8ts6 by Molmil
Cyanophage A-1(L) portal
分子名称: Portal protein
著者Yu, R.C, Li, Q, Zhou, C.Z.
登録日2023-08-11
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structure of the intact tail machine of Anabaena myophage A-1(L).
Nat Commun, 15, 2024
6YPZ
DownloadVisualize
BU of 6ypz by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ...
著者Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
登録日2020-04-16
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6W61
DownloadVisualize
BU of 6w61 by Molmil
Crystal Structure of the methyltransferase-stimulatory factor complex of NSP16 and NSP10 from SARS CoV-2.
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase, CHLORIDE ION, ...
著者Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-15
公開日2020-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of nsp10-nsp16 heterodimer from SARS-CoV-2 in complex with S-adenosylmethionine
Biorxiv, 2020
6W9I
DownloadVisualize
BU of 6w9i by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
7MFO
DownloadVisualize
BU of 7mfo by Molmil
X-ray structure of the L136 Aminotransferase from Acanthamoeba polyphaga mimivirus in the presence of TDP and PMP
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CHLORIDE ION, ...
著者Ferek, J.D, Thoden, J.B, Holden, H.M.
登録日2021-04-10
公開日2021-04-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
6YMA
DownloadVisualize
BU of 6yma by Molmil
MicroED structure of acetazolamide-bound human carbonic anhydrase II
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H.
登録日2020-04-08
公開日2020-08-12
最終更新日2024-01-24
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Visualizing drug binding interactions using microcrystal electron diffraction.
Commun Biol, 3, 2020
8FQX
DownloadVisualize
BU of 8fqx by Molmil
Carbonic Anhydrase II in complex with the alkyl ureas 3g
分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
9E6Y
DownloadVisualize
BU of 9e6y by Molmil
Structure of CD112 (Nectin-2) domain 1 bound to CD112R (PVRIG)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, ...
著者Luca, V.C, Singh, S.
登録日2024-10-31
公開日2025-05-07
最終更新日2025-08-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-guided engineering of CD112 receptor variants for optimized immunotherapy.
Mol.Ther., 33, 2025

242842

件を2025-10-08に公開中

PDB statisticsPDBj update infoContact PDBjnumon