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PDB: 53266 件

6UXQ
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Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ...
著者Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2019-11-07
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
8P37
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Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
分子名称: IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
著者Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
登録日2023-05-17
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
6VGY
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2.05 A resolution structure of MERS 3CL protease in complex with inhibitor 6b
分子名称: N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
著者Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
登録日2020-01-09
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
8PAY
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BU of 8pay by Molmil
Structure of the E.coli DNA polymerase sliding clamp with a covalently bound peptide 2.
分子名称: ACE-GLN-ALC-GLC-LEU-PHE, Beta sliding clamp, GLYCEROL, ...
著者Compain, G, Monsarrat, C, Blagojevic, J, Brillet, K, Dumas, P, Hammann, P, Kuhn, L, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Burnouf, D, wagner, J, Guichard, G.
登録日2023-06-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Peptide-Based Covalent Inhibitors Bearing Mild Electrophiles to Target a Conserved His Residue of the Bacterial Sliding Clamp.
Jacs Au, 4, 2024
6OEE
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BU of 6oee by Molmil
Structure of CagT from a cryo-EM reconstruction of a T4SS
分子名称: Type IV secretion system apparatus protein CagT
著者Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D.
登録日2019-03-27
公開日2019-07-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
6E8Q
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BU of 6e8q by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole
分子名称: DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
著者Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C.
登録日2018-07-30
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob. Agents Chemother., 63, 2019
6UPR
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BU of 6upr by Molmil
Crystal Structure of GTPase Domain of Human Septin 2 / Septin 8 Heterocomplex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Leonardo, D.A, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C.
登録日2019-10-18
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Molecular Recognition at Septin Interfaces: The Switches Hold the Key.
J.Mol.Biol., 432, 2020
7AE4
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Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in closed form
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Marshall, S.A, Leys, D.
登録日2020-09-17
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
6Y8J
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Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA
分子名称: Carnitine monooxygenase oxygenase subunit, FE2/S2 (INORGANIC) CLUSTER
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-05
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
6UW1
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The crystal structure of FbiA from Mycobacterium Smegmatis, Fo bound form
分子名称: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, Phosphoenolpyruvate transferase
著者Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
登録日2019-11-04
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
7RZD
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BU of 7rzd by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE
分子名称: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
著者Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
登録日2021-08-27
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
4XGU
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Structure of C. elegans PCH-2
分子名称: ADENOSINE-5'-DIPHOSPHATE, Putative pachytene checkpoint protein 2, SULFATE ION
著者Ye, Q, Corbett, K.D.
登録日2015-01-02
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献TRIP13 is a protein-remodeling AAA+ ATPase that catalyzes MAD2 conformation switching.
Elife, 4, 2015
6S1F
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BU of 6s1f by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
分子名称: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
著者Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-06-18
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors
To be published
4XIF
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BU of 4xif by Molmil
Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7)
分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Keratin, type II cytoskeletal 7, ...
著者Schimpl, M, van Aalten, D.M.F.
登録日2015-01-06
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
6OKR
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BU of 6okr by Molmil
CDTb Pre-Insertion form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry
分子名称: ADP-ribosyltransferase binding component
著者Lacy, D.B, Sheedlo, M.J, Anderson, D.M.
登録日2019-04-15
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore.
Nat Microbiol, 5, 2020
5I4F
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BU of 5i4f by Molmil
scFv 2D10 complexed with alpha 1,6 mannobiose
分子名称: alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, scFv 2D10
著者Vashisht, S, Kumar, A, Kaur, K.J, Salunke, D.M.
登録日2016-02-12
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Antibodies Can Exploit Molecular Crowding to Bind New Antigens at Noncanonical Paratope Positions
CHEMISTRYSELECT, 1, 2016
5I4O
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BU of 5i4o by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
分子名称: CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-12
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
8PAT
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BU of 8pat by Molmil
Structure of the E.coli DNA polymerase sliding clamp with a covalently bound peptide 3.
分子名称: ACE-GLN-ALC-GLX-LEU-PHE, Beta sliding clamp
著者Compain, G, Monsarrat, C, Blagojevic, J, Brillet, K, Dumas, P, Hammann, P, Kuhn, L, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Burnouf, D, Guichard, G.
登録日2023-06-08
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Peptide-Based Covalent Inhibitors Bearing Mild Electrophiles to Target a Conserved His Residue of the Bacterial Sliding Clamp.
Jacs Au, 4, 2024
7RUX
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BU of 7rux by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-8311
分子名称: B-cell lymphoma 6 protein, FORMIC ACID, N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8311
To Be Published
7RV0
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BU of 7rv0 by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-8446
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, FORMIC ACID, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8446
To Be Published
7RV2
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Crystal structure of the BCL6 BTB domain in complex with OICR-8828
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8828
To Be Published
6ZRB
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Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127
分子名称: ACETATE ION, Histone-lysine N-methyltransferase SMYD3, N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide, ...
著者Talibov, V.O, Eriksson, D.
登録日2020-07-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3
Eur.J.Med.Chem., 2022
7RUW
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BU of 7ruw by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-7859
分子名称: 2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-7859
To Be Published
6UO7
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BU of 6uo7 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with AR-42
分子名称: AR-42, Histone deacetylase 6, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-10-14
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.39501321 Å)
主引用文献Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
7RUZ
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BU of 7ruz by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-8445
分子名称: 2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-08-18
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-8445
To Be Published

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件を2024-09-04に公開中

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