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4UVB
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BU of 4uvb by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R)
分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
2RP1
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BU of 2rp1 by Molmil
Refined solution structure of the PEMV-1 mRNA pseudoknot, regularized average structure
分子名称: PEMV-1 mRNA pseudoknot
著者Cornish, P.V, Hennig, M, Giedroc, D.P.
登録日2008-04-25
公開日2009-03-31
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Frameshifting RNA pseudoknots: Structure and mechanism.
Virus Res., 139, 2009
8HHI
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BU of 8hhi by Molmil
Crystal structure of a triple-helix region of human collagen type III
分子名称: human collagen type III
著者Yan, Z.C, Zhang, D, Qin, B.
登録日2022-11-16
公開日2023-01-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a triple-helix region of human collagen type III
To Be Published
5SR1
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BU of 5sr1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1272415642 - (R) isomer
分子名称: (3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H0S
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BU of 8h0s by Molmil
Crystal structure of MnmM from B. subtilis complexed with Gln-TTG anti-codon stem loop and SAM (2.90 A)
分子名称: Putative rRNA methylase YtqB, RNA (5'-R(*AP*CP*GP*GP*AP*CP*UP*UP*UP*GP*AP*CP*UP*CP*CP*GP*U)-3'), S-ADENOSYLMETHIONINE
著者Kim, J, Lee, J, Cho, G.
登録日2022-09-30
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023
2RP5
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BU of 2rp5 by Molmil
Solution structure of the oligomerization domain in CEP-1
分子名称: Putative uncharacterized protein cep-1
著者Ou, H.D, Doetsch, V.
登録日2008-05-01
公開日2008-05-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural evolution of C-terminal domains in the p53 family
Embo J., 26, 2007
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Chowdhury, R, Tarhonskaya, H, Schofield, C.J.
登録日2014-08-11
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
8H0T
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BU of 8h0t by Molmil
Crystal structure of MnmM from B. subtilis complexed with SAH (1.17 A)
分子名称: Putative rRNA methylase YtqB, S-ADENOSYL-L-HOMOCYSTEINE
著者Kim, J, Lee, J, Cho, G.
登録日2022-09-30
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023
5SOO
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BU of 5soo by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000897286891 - (R) isomer
分子名称: 4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4URS
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BU of 4urs by Molmil
Crystal Structure of GGDEF domain from T.maritima
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIGUANYLATE CYCLASE, ...
著者Deepthi, A, Liew, C.W, Liang, Z.X, Swaminathan, K, Lescar, J.
登録日2014-07-02
公開日2014-10-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
2RQH
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BU of 2rqh by Molmil
Structure of GSPT1/ERF3A-PABC
分子名称: G1 to S phase transition 1, Polyadenylate-binding protein 1
著者Osawa, M, Nakanishi, T, Hosoda, N, Uchida, S, Hoshino, T, Katada, I, Shimada, I.
登録日2009-05-08
公開日2010-05-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Eukaryotic Translation Termination Factor Gspt/Erf3 Recognizes Pabp with Chemical Exchange Using Two Overlapping Motifs
To be Published
8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
分子名称: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
著者Wang, J.W.
登録日2022-11-12
公開日2023-02-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
2RQV
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BU of 2rqv by Molmil
Solution structure of SH3CI domain of Bem1p
分子名称: Bud emergence protein 1
著者Takaku, T, Ogura, K, Inagaki, F.
登録日2009-12-21
公開日2010-04-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of a novel Cdc42-binding module of Bem1 and its interaction with Ste20 and Cdc42
J.Biol.Chem., 285, 2010
5SOM
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BU of 5som by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000835985505 - (S) isomer
分子名称: Non-structural protein 3, [(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4USW
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BU of 4usw by Molmil
Crystal structure of human soluble Adenylyl Cyclase with ATP
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
著者Kleinboelting, S, Steegborn, C.
登録日2014-07-13
公開日2014-07-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
5SQZ
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BU of 5sqz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1039058598
分子名称: N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HR7
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BU of 8hr7 by Molmil
Structure of RdrA-RdrB complex
分子名称: Adenosine deaminase, Archaeal ATPase
著者Gao, Y.
登録日2022-12-15
公開日2023-02-01
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Molecular basis of RADAR anti-phage supramolecular assemblies.
Cell, 186, 2023
4V16
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BU of 4v16 by Molmil
KlHsv2 with loop 6CD replaced by a Gly-Ser linker
分子名称: SVP1-LIKE PROTEIN 2
著者Busse, R.A, Scacioc, A, Krick, R, Perez-Lara, A, Thumm, M, Kuhnel, K.
登録日2014-09-25
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Characterization of Proppin-Phosphoinositide Binding and Role of Loop 6Cd in Proppin-Membrane Binding.
Biophys.J., 108, 2015
2RR7
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BU of 2rr7 by Molmil
Microtubule Binding Domain of DYNEIN-C
分子名称: Dynein heavy chain 9
著者Kato, Y, Yagi, T, Ohki, S, Burgess, S, Honda, S, Kamiya, R, Tanokura, M.
登録日2010-06-04
公開日2011-06-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the microtubule-binding domain of flagellar dynein
Structure, 22, 2014
5SR2
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BU of 5sr2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with EN300-36602160
分子名称: (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2R8G
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BU of 2r8g by Molmil
Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DT)-3', 5'-D(*DTP*DCP*DAP*DCP*(P)P*DGP*DAP*DAP*DAP*DTP*DCP*DCP*DTP*DTP*DCP*DCP*DCP*DCP*DC)-3', ...
著者Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P.
登録日2007-09-10
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
8H98
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Crystal structure of chemically modified E. coli ThrS catalytic domain 1
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Xia, M, Wang, J, Fang, P.
登録日2022-10-25
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
4UQS
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BU of 4uqs by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-Bromo-7-Nitroindazole
分子名称: 3-BROMO-7-NITROINDAZOLE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2014-06-24
公開日2014-09-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of Redox Partners and Development of a Novel Chimeric Bacterial Nitric Oxide Synthase for Structure Activity Analyses.
J.Biol.Chem., 289, 2014
8H1B
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BU of 8h1b by Molmil
Crystal structure of MnmM from S. aureus complexed with SAM and tRNA anti-codon stem loop (ASL) (1.55 A)
分子名称: RNA (5'-R(*AP*CP*GP*GP*AP*CP*UP*UP*UP*GP*AP*CP*UP*CP*CP*GP*U)-3'), S-ADENOSYLMETHIONINE, SODIUM ION, ...
著者Kim, J, Cho, G, Lee, J.
登録日2022-10-01
公開日2023-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023
5SR4
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BU of 5sr4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2479779298 - (R,S) and (S,R) isomers
分子名称: (1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol, (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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