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PDB: 20 件
6U77
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BU of 6u77 by Molmil
yGsy2p in complex with small molecule
分子名称: 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol, 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase isoform 2
著者Tang, B, Hurley, T.D.
登録日2019-08-31
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase.
J.Med.Chem., 63, 2020
8K19
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BU of 8k19 by Molmil
Neutralization antibody ZCP3B4 bound with SARS-CoV-2 Omicron BA.5 RBD
分子名称: Spike protein S1, ZCP3B4 heavy chain, ZCP3B4 light chain
著者Tang, B, Dang, S.
登録日2023-07-10
公開日2024-10-09
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Neutralization antibody ZCP3B4 bound with SARS-CoV-2 Omicron BA.5 RBD
To Be Published
7YKJ
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BU of 7ykj by Molmil
Omicron RBDs bound with P3E6 Fab (one up and one down)
分子名称: P3E6 heavy chain, P3E6 light chain, Spike glycoprotein
著者Tang, B, Dang, S.
登録日2022-07-22
公開日2022-12-28
最終更新日2023-01-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
1D40
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BU of 1d40 by Molmil
BASE SPECIFIC BINDING OF COPPER(II) TO Z-DNA: THE 1.3-ANGSTROMS SINGLE CRYSTAL STRUCTURE OF D(M5CGUAM5CG) IN THE PRESENCE OF CUCL2
分子名称: COPPER (II) CHLORIDE, COPPER (II) ION, DNA (5'-D(*(5CM)P*(CU)GP*UP*AP*(5CM)P*(CU)G)-3')
著者Geierstanger, B.H, Kagawa, T.F, Chen, S.-L, Quigley, G.J, Ho, P.S.
登録日1991-05-07
公開日1992-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Base-specific binding of copper(II) to Z-DNA. The 1.3-A single crystal structure of d(m5CGUAm5CG) in the presence of CuCl2.
J.Biol.Chem., 266, 1991
3I76
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BU of 3i76 by Molmil
The crystal structure of the orthorhombic form of the putative HAD-hydrolase YfnB from Bacillus subtilis bound to magnesium reveals interdomain movement
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Bonanno, J.B, Dickey, M, Bain, K.T, Tang, B.K, Romero, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-07-08
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the orthorhombic form of the putative HAD-hydrolase YfnB from Bacillus subtilis bound to magnesium reveals interdomain movement
To be Published
6IK4
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BU of 6ik4 by Molmil
A Novel M23 Metalloprotease Pseudoalterin from Deep-sea
分子名称: Elastinolytic metalloprotease, GLYCEROL, ZINC ION
著者Zhao, H.L, Tang, B.L, Yang, J, Chen, X.L, Zhang, Y.Z.
登録日2018-10-14
公開日2019-10-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A predator-prey interaction between a marine Pseudoalteromonas sp. and Gram-positive bacteria.
Nat Commun, 11, 2020
3EPR
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BU of 3epr by Molmil
Crystal structure of putative HAD superfamily hydrolase from Streptococcus agalactiae.
分子名称: GLYCEROL, Hydrolase, haloacid dehalogenase-like family, ...
著者Ramagopal, U.A, Toro, R, Dickey, M, Tang, B.K, Groshong, C, Rodgers, L, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-09-29
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of putative HAD superfamily hydrolase from Streptococcus agalactiae.
To be Published
3FDU
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BU of 3fdu by Molmil
Crystal structure of a putative enoyl-CoA hydratase/isomerase from Acinetobacter baumannii
分子名称: GLYCEROL, Putative enoyl-CoA hydratase/isomerase, SULFATE ION
著者Bonanno, J.B, Dickey, M, Bain, K.T, Tang, B.K, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-11-26
公開日2008-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative enoyl-CoA hydratase/isomerase from Acinetobacter baumannii
To be Published
3GG7
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BU of 3gg7 by Molmil
Crystal structure of an uncharacterized metalloprotein from Deinococcus radiodurans
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MANGANESE (II) ION, ...
著者Bonanno, J.B, Dickey, M, Bain, K.T, Tang, B.K, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-27
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of an uncharacterized metalloprotein from Deinococcus radiodurans
To be Published
1D39
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BU of 1d39 by Molmil
COVALENT MODIFICATION OF GUANINE BASES IN DOUBLE STRANDED DNA: THE 1.2 ANGSTROMS Z-DNA STRUCTURE OF D(CGCGCG) IN THE PRESENCE OF CUCL2
分子名称: COPPER (II) ION, DNA (5'-D(*CP*(CU)GP*CP*(CU)GP*CP*(CU)G)-3'), SODIUM ION
著者Kagawa, T.F, Geierstanger, B.H, Wang, A.H.-J, Ho, P.S.
登録日1991-05-07
公開日1992-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Covalent modification of guanine bases in double-stranded DNA. The 1.2-A Z-DNA structure of d(CGCGCG) in the presence of CuCl2.
J.Biol.Chem., 266, 1991
3DJ7
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BU of 3dj7 by Molmil
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130.
分子名称: 1-(5-{2-[(6-amino-5-bromopyrimidin-4-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
著者Elling, R.A, Yang, W, Erlanson, D.A, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
登録日2008-06-22
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献New fragment-based drug discovery
To be Published
3DJ5
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BU of 3dj5 by Molmil
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 290.
分子名称: 3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide, serine/threonine kinase 6
著者Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
登録日2008-06-22
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献New fragment-based drug discovery
To be Published
3DJ6
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BU of 3dj6 by Molmil
Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 823.
分子名称: 4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide, serine/threonine kinase 6
著者Elling, R.A, Erlanson, D.A, Yang, W, Tangonan, B.T, Hansen, S.K, Romanowski, M.J.
登録日2008-06-22
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献New fragment-based drug discovery
To be Published
3R5P
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BU of 3r5p by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: Deazaflavin-dependent nitroreductase, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5L
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BU of 3r5l by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-18
公開日2012-01-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Y
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Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5W
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BU of 3r5w by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5R
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BU of 3r5r by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
2PIS
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BU of 2pis by Molmil
Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs
分子名称: DNA (5'-D(*CP*GP*(CBR)P*GP*AP*AP*(FFD)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Matsuda, S, Fillo, J.D, Henry, A.A, Wilkins, S.J, Rai, P, Dwyer, T.J, Geierstanger, B.H, Wemmer, D.E, Schultz, P.G, Spraggon, G, Romesberg, F.E.
登録日2007-04-13
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs.
J.Am.Chem.Soc., 129, 2007
3R5Z
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BU of 3r5z by Molmil
Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012

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