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

6SKS
DownloadVisualize
BU of 6sks by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1)
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Groves, M.R, Wang, W, van Oosterwijk, N.
登録日2019-08-16
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Target diazotransfer reagents to label metalloenzymes
To Be Published
5FHN
DownloadVisualize
BU of 5fhn by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 1.6 A resolution
分子名称: (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2015-12-22
公開日2016-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
5T9G
DownloadVisualize
BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
分子名称: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2016-09-09
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
3DSZ
DownloadVisualize
BU of 3dsz by Molmil
Engineered human lipocalin 2 in complex with Y-DTPA
分子名称: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2
著者Eichinger, A, Skerra, A.
登録日2008-07-14
公開日2009-05-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2
J.Am.Chem.Soc., 131, 2009
8XJI
DownloadVisualize
BU of 8xji by Molmil
Structure of chimeric RyR complex with flubendiamide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Lin, L, Wang, C, Wang, W, Jiang, H, Yuchi, Z.
登録日2023-12-21
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Cryo-EM structures of ryanodine receptors and diamide insecticides reveal the mechanisms of selectivity and resistance.
Nat Commun, 15, 2024
7YAG
DownloadVisualize
BU of 7yag by Molmil
CryoEM structure of SPCA1a in E1-Ca-AMPPCP state subclass 1
分子名称: CALCIUM ION, Calcium-transporting ATPase type 2C member 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Chen, Z, Watanabe, S, Inaba, K.
登録日2022-06-28
公開日2023-03-22
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
7RYN
DownloadVisualize
BU of 7ryn by Molmil
CD1a-sulfatide-gdTCR complex
分子名称: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wegrecki, M, Le Nours, J, Rossjohn, J.
登録日2021-08-25
公開日2022-05-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
5DUI
DownloadVisualize
BU of 5dui by Molmil
Identification of a new FoxO1 binding site that precludes CREB binding at the glucose-6-phosphatase catalytic subunit gene promoter
分子名称: DNA (5'-D(*AP*TP*GP*AP*TP*TP*TP*AP*CP*GP*TP*AP*AP*AP*AP*TP*AP*GP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*CP*TP*AP*TP*TP*TP*TP*AP*CP*GP*TP*AP*AP*AP*TP*CP*A)-3'), Forkhead box protein O1
著者Singh, P, Endrizzi, J.A, Chi, Y.-I.
登録日2015-09-18
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献Crystal structures reveal a new and novel FoxO1 binding site within the human glucose-6-phosphatase catalytic subunit 1 gene promoter.
J. Struct. Biol., 198, 2017
3DYL
DownloadVisualize
BU of 3dyl by Molmil
human phosphdiesterase 9 substrate complex (ES complex)
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, FORMIC ACID, ...
著者Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
登録日2008-07-28
公開日2008-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7YAJ
DownloadVisualize
BU of 7yaj by Molmil
CryoEM structure of SPCA1a in E1-Mn-AMPPCP state subclass 1
分子名称: Calcium-transporting ATPase type 2C member 1, MANGANESE (II) ION, Nanobody head piece of megabody, ...
著者Chen, Z, Watanabe, S, Inaba, K.
登録日2022-06-28
公開日2023-03-22
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
2PS7
DownloadVisualize
BU of 2ps7 by Molmil
Y295F trichodiene synthase
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase
著者Vedula, L.S, Cane, D.E, Christianson, D.W.
登録日2007-05-04
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
5DYK
DownloadVisualize
BU of 5dyk by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form
分子名称: 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ...
著者Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-09-24
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
9GMQ
DownloadVisualize
BU of 9gmq by Molmil
Crystal structure of the Mpro of SARS COV-2 in complex with the MG-87 inhibitor
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者El Kilani, H, Hilgenfeld, R.
登録日2024-08-29
公開日2025-01-29
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure-Based Optimization of Pyridone alpha-Ketoamides as Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 68, 2025
6M65
DownloadVisualize
BU of 6m65 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPNP (GDP)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-13
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
8JCR
DownloadVisualize
BU of 8jcr by Molmil
Crystal structure of Calotropain FI from Calotropis gigantea (pH 6.0)
分子名称: GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Procerain, ...
著者Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D.
登録日2023-05-11
公開日2024-05-22
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Papain-Like Cysteine Protease, Calotropain FI, Purified from the Latex of Calotropis gigantea.
J.Agric.Food Chem., 73, 2025
8JCQ
DownloadVisualize
BU of 8jcq by Molmil
Crystal structure of calotropain FI from Calotropis gigantea
分子名称: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Procerain
著者Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D.
登録日2023-05-11
公開日2024-05-22
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of Papain-Like Cysteine Protease, Calotropain FI, Purified from the Latex of Calotropis gigantea.
J.Agric.Food Chem., 73, 2025
7GIJ
DownloadVisualize
BU of 7gij by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5d65ec79-1 (Mpro-P0097)
分子名称: (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
1O13
DownloadVisualize
BU of 1o13 by Molmil
Crystal structure of a putative dinitrogenase iron-molybdenum cofactor (tm1816) from thermotoga maritima at 1.83 A resolution
分子名称: probable NifB protein
著者Joint Center for Structural Genomics (JCSG)
登録日2002-10-15
公開日2002-12-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of probable NifB protein that is involved in FeMo-Co biosynthesis TM1816 from Thermotoga maritima at 1.83 A resolution
To be published
4YD3
DownloadVisualize
BU of 4yd3 by Molmil
Endothiapepsin in complex with fragment 224
分子名称: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.248 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
3DKG
DownloadVisualize
BU of 3dkg by Molmil
Structure of Mutant(Y1248L) MET receptor tyrosine kinase in complex with inhibitor SGX-523
分子名称: 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor
著者Hendle, J.
登録日2008-06-24
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
6GL0
DownloadVisualize
BU of 6gl0 by Molmil
Structure of ZgEngAGH5_4 in complex with a cellotriose
分子名称: Endoglucanase, family GH5, MAGNESIUM ION, ...
著者Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S.
登録日2018-05-22
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
4L89
DownloadVisualize
BU of 4l89 by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with covalently bound CoA
分子名称: 1,2-ETHANEDIOL, COENZYME A, SULFATE ION, ...
著者Majorek, K.A, Chruszcz, M, Maclean, E, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2013-06-16
公開日2013-07-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.
J.Biol.Chem., 288, 2013
8IUE
DownloadVisualize
BU of 8iue by Molmil
RNA polymerase III pre-initiation complex melting complex 1
分子名称: DNA (74-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
著者Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y.
登録日2023-03-24
公開日2023-05-24
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
4GKZ
DownloadVisualize
BU of 4gkz by Molmil
HA1.7, a MHC class II restricted TCR specific for haemagglutinin
分子名称: 1,2-ETHANEDIOL, Alpha chain of Class II TCR, Beta Chain of Class II TCR, ...
著者Holland, C.J, Rizkallah, P.J, Cole, D.K, Sewell, A.K, Godkin, A.J.
登録日2012-08-13
公開日2012-11-07
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Minimal conformational plasticity enables TCR cross-reactivity to different MHC class II heterodimers.
Sci Rep, 2, 2012
7GPK
DownloadVisualize
BU of 7gpk by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z905434478
分子名称: 1-[(thiophen-3-yl)methyl]piperidin-4-ol, DIMETHYL SULFOXIDE, Protease 3C
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F.
登録日2023-08-24
公開日2023-11-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024

245011

件を2025-11-19に公開中

PDB statisticsPDBj update infoContact PDBjnumon