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3S57
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BU of 3s57 by Molmil
ABH2 cross-linked with undamaged dsDNA-1 containing cofactors
分子名称: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', ...
著者Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C.
登録日2011-05-20
公開日2012-06-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
8HCZ
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BU of 8hcz by Molmil
N-terminal domain structure of mycobacterium tuberculosis FadD23
分子名称: Long-chain-fatty-acid--AMP ligase FadD23
著者Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
登録日2022-11-03
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HDF
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BU of 8hdf by Molmil
Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM
分子名称: Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
登録日2022-11-04
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8HD4
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BU of 8hd4 by Molmil
Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16
分子名称: Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate
著者Yan, M.R, Liu, X, Zhang, W, Rao, Z.H.
登録日2022-11-03
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms.
Front Microbiol, 14, 2023
8TAR
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BU of 8tar by Molmil
APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
登録日2023-06-27
公開日2023-09-27
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
8TAU
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BU of 8tau by Molmil
APC/C-CDH1-UBE2C-UBE2S-Ubiquitin-CyclinB
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
登録日2023-06-27
公開日2023-09-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
2FIC
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BU of 2fic by Molmil
The crystal structure of the BAR domain from human Bin1/Amphiphysin II and its implications for molecular recognition
分子名称: Myc box-dependent-interacting protein 1, XENON
著者Casal, E, Federici, L, Zhang, W, Fernandez-Recio, J, Priego, E.M, Miguel, R.N, Duhadaway, J.B, Prendergast, G.C, Luisi, B.F, Laue, E.D.
登録日2005-12-29
公開日2006-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The Crystal Structure of the BAR Domain from Human Bin1/Amphiphysin II and Its Implications for Molecular Recognition
Biochemistry, 45, 2006
8OR1
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BU of 8or1 by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
分子名称: 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1
著者Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W.
登録日2023-04-12
公開日2023-08-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 2023
7VUL
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BU of 7vul by Molmil
Structure of Klebsiella Phage P560 depolymerase
分子名称: Non-contractile tail fiber protein, SULFATE ION
著者Li, M, Chen, R, Zhang, S, Zhang, W.
登録日2021-11-02
公開日2022-11-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure of Klebsiella Phage P560 depolymerase
To Be Published
2HD1
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BU of 2hd1 by Molmil
Crystal structure of PDE9 in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ...
著者Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H.
登録日2006-06-19
公開日2006-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
8CN0
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BU of 8cn0 by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CNB
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BU of 8cnb by Molmil
Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
8CNA
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BU of 8cna by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.463 Å)
主引用文献Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
8CND
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BU of 8cnd by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
8CMZ
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BU of 8cmz by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
2L85
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BU of 2l85 by Molmil
Solution NMR structures of CBP bromodomain with small molecule of HBS
分子名称: 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
著者Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
登録日2011-01-04
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
2JZ0
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BU of 2jz0 by Molmil
DSX_short
分子名称: Protein doublesex
著者Yang, Y, Zhang, W, Bayrer, J.R, Weiss, M.A.
登録日2007-12-21
公開日2008-01-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Doublesex and the Regulation of Sexual Dimorphism in Drosophila melanogaster: STRUCTURE, FUNCTION, AND MUTAGENESIS OF A FEMALE-SPECIFIC DOMAIN.
J.Biol.Chem., 283, 2008
8F2O
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BU of 8f2o by Molmil
Phi-29 expanded, DNA-packaged fiberless prohead
分子名称: Major capsid protein
著者Woodson, M.E, Morais, M.C, Jardine, P.J, Zhang, W.
登録日2022-11-08
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Scaffold Oligomers Control Prohead Expansion
To Be Published
8F2N
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BU of 8f2n by Molmil
Phi-29 partially-expanded fiberless prohead
分子名称: Major capsid protein
著者Woodson, M.E, Morais, M.C, Scott, S.D, Choi, K.H, Jardine, P.J, Zhang, W.
登録日2022-11-08
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Phi-29 partially-expanded fiberless prohead
To Be Published
2JZ1
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BU of 2jz1 by Molmil
DSX_long
分子名称: Protein doublesex
著者Yang, Y, Zhang, W, Bayrer, J.R, Weiss, M.A.
登録日2007-12-21
公開日2008-01-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Doublesex and the Regulation of Sexual Dimorphism in Drosophila melanogaster: STRUCTURE, FUNCTION, AND MUTAGENESIS OF A FEMALE-SPECIFIC DOMAIN.
J.Biol.Chem., 283, 2008
2L84
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BU of 2l84 by Molmil
Solution NMR structures of CBP bromodomain with small molecule j28
分子名称: 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein
著者Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
登録日2011-01-03
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
7N7X
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BU of 7n7x by Molmil
Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution
分子名称: Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain
著者Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W.
登録日2021-06-11
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
7M3Q
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BU of 7m3q by Molmil
Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ...
著者Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S.
登録日2021-03-18
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published
3IJK
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BU of 3ijk by Molmil
5-OMe modified DNA 8mer
分子名称: 5'-D(*GP*(UMS)P*GP*(T5O)P*AP*CP*AP*C)-3'
著者Sheng, J, Zhang, W, Hassan, A.E.A, Gan, J, Huang, Z.
登録日2009-08-04
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
3ITA
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BU of 3ita by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ...
著者Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
登録日2009-08-27
公開日2009-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009

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