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8P67
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BU of 8p67 by Molmil
Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid
分子名称: 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GH30 family xylanase, ...
著者Dimarogona, M, Pentari, C, Kosinas, C, Topakas, E.
登録日2023-05-25
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan.
Biotechnol.Bioeng., 121, 2024
7PHF
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BU of 7phf by Molmil
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
7AO9
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BU of 7ao9 by Molmil
Structure of the core MTA1/HDAC1/MBD2 NURD deacetylase complex
分子名称: Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ...
著者Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R.
登録日2020-10-14
公開日2020-11-11
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
7E8H
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BU of 7e8h by Molmil
CryoEM structure of human Kv4.2-DPP6S-KChIP1 complex
分子名称: Dipeptidyl aminopeptidase-like protein 6, Kv channel-interacting protein 1, Potassium voltage-gated channel subfamily D member 2
著者Kise, Y, Nureki, O.
登録日2021-03-01
公開日2021-10-13
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of gating modulation of Kv4 channel complexes.
Nature, 599, 2021
7PXR
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BU of 7pxr by Molmil
Room temperature structure of an LPMO.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
8P14
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BU of 8p14 by Molmil
USP28 USP domain in complex with Vismodegib
分子名称: 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, CHLORIDE ION, Ubiquitin carboxyl-terminal hydrolase 28
著者Sauer, F, Karal Nair, R, Kisker, C.
登録日2023-05-11
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献USP28 USP domain in complex with Vismodegib
To Be Published
5L7P
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BU of 5l7p by Molmil
In silico-powered specific incorporation of photocaged Dopa at multiple protein sites
分子名称: (2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者Hauf, M, Richter, F, Schneider, T, Martins, B.M, Baumann, T, Durkin, P, Dobbek, H, Moeglich, A, Budisa, N.
登録日2016-06-03
公開日2017-09-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Photoactivatable Mussel-Based Underwater Adhesive Proteins by an Expanded Genetic Code.
Chembiochem, 18, 2017
2ZFF
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BU of 2zff by Molmil
Exploring Thrombin S1-pocket
分子名称: D-phenylalanyl-N-benzyl-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-01-04
公開日2008-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Exploring Thrombin S1-pocket
To be Published
2M8X
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BU of 2m8x by Molmil
Restrained CS-Rosetta Solution NMR structure of the CARDB domain of PF1109 from Pyrococcus furiosus. Northeast Structural Genomics Consortium target PfR193A
分子名称: Uncharacterized protein
著者Mao, B, Tejero, R.T, Aramini, J.M, Snyder, D.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-05-29
公開日2013-08-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PDBStat: a universal restraint converter and restraint analysis software package for protein NMR.
J.Biomol.Nmr, 56, 2013
7PXJ
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BU of 7pxj by Molmil
X-ray structure of LPMO at 5.99x10^4 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
8P1P
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BU of 8p1p by Molmil
USP28 in complex with AZ1
分子名称: 2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Sauer, F, Karal-Nair, R, Kisker, C.
登録日2023-05-12
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献USP28 in complex with AZ1
To Be Published
5L0F
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BU of 5l0f by Molmil
Human metavinculin quadruple mutant (residues 959-1134)
分子名称: GLYCEROL, Vinculin
著者Chinthalapudi, K, Izard, T.
登録日2016-07-27
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Differential lipid binding of vinculin isoforms promotes quasi-equivalent dimerization.
Proc.Natl.Acad.Sci.USA, 113, 2016
2M56
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BU of 2m56 by Molmil
The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy
分子名称: CAMPHOR, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ...
著者Hiruma, Y, Hass, M.A.S, Ubbink, M.
登録日2013-02-14
公開日2013-08-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography.
J.Mol.Biol., 425, 2013
7AO0
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BU of 7ao0 by Molmil
Crystal structure of CotB2 variant F107A in complex with alendronate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, CHLORIDE ION, ...
著者Dimos, N, Driller, R, Loll, B.
登録日2020-10-13
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
J.Am.Chem.Soc., 142, 2020
2LWW
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BU of 2lww by Molmil
NMR structure of RelA-TAD/CBP-TAZ1 complex
分子名称: CREB-binding protein, Nuclear transcription factor RelA, ZINC ION
著者Mukherjee, S.P, Ghosh, G, Wright, P.E.
登録日2012-08-07
公開日2013-09-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Analysis of the RelA:CBP/p300 Interaction Reveals Its Involvement in NF-kappa B-Driven Transcription.
Plos Biol., 11, 2013
5L1P
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BU of 5l1p by Molmil
X-ray Structure of Cytochrome P450 PntM with Pentalenolactone
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
2ZVU
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BU of 2zvu by Molmil
Crystal structure of rat heme oxygenase-1 in complex with ferrous verdoheme
分子名称: 5-OXA-PROTOPORPHYRIN IX CONTAINING FE, FORMIC ACID, Heme oxygenase 1
著者Sato, H, Sugishima, M, Fukuyama, K, Noguchi, M.
登録日2008-11-21
公開日2009-02-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of rat haem oxygenase-1 in complex with ferrous verdohaem: presence of a hydrogen-bond network on the distal side
Biochem.J., 419, 2009
7KB8
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BU of 7kb8 by Molmil
Co-crystal structure of alpha glucosidase with compound 8
分子名称: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2020-10-01
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
2ZI8
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BU of 2zi8 by Molmil
Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis in complex with 3,4-dihydroxy-9,10-seconandrost-1,3,5(10)-triene-9,17-dione (DHSA)
分子名称: 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC
著者D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N.
登録日2008-02-13
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis.
Plos Pathog., 5, 2009
7SXO
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BU of 7sxo by Molmil
Yeast Lon (PIM1) with endogenous substrate
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ...
著者Yang, J, Song, A.S, Wiseman, R.L, Lander, G.C.
登録日2021-11-24
公開日2022-01-12
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of hexameric yeast Lon protease (PIM1) highlights the importance of conserved structural elements.
J.Biol.Chem., 298, 2022
7KAD
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BU of 7kad by Molmil
Co-crystal structure of alpha glucosidase with compound 6
分子名称: (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Karade, S.S, Mariuzza, R.A.
登録日2020-09-30
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity.
J.Med.Chem., 64, 2021
3IFC
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BU of 3ifc by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in complex with AMP and alpha fructose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase isozyme 2, ...
著者Kolodziejczyk, R, Zarzycki, M, Jaskolski, M, Dzugaj, A.
登録日2009-07-24
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of E69Q mutant of human muscle fructose-1,6-bisphosphatase
Acta Crystallogr.,Sect.D, 67, 2011
2HHA
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BU of 2hha by Molmil
The structure of DPP4 in complex with an oxadiazole inhibitor
分子名称: (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2006-06-28
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2MAK
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BU of 2mak by Molmil
Solution structure of the STIM1 CC1-CC2 homodimer in complex with two Orai1 C-terminal domains.
分子名称: Calcium release-activated calcium channel protein 1, Stromal interaction molecule 1
著者Stathopulos, P.B, Ikura, M.
登録日2013-07-12
公開日2014-01-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry.
Nat Commun, 4, 2013
7PGC
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BU of 7pgc by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191
分子名称: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022

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件を2024-08-21に公開中

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