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5QJ3
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CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
著者Khan, J.A.
登録日2018-09-26
公開日2019-02-06
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Potent Triazolopyridine Myeloperoxidase Inhibitors.
ACS Med Chem Lett, 9, 2018
4JIK
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BU of 4jik by Molmil
X-RAY Crystal structure of compound 22a (R)-2-(4-chlorophenyl)-8-(piperidin-3-ylamino)imidazo[1,2-c]pyrimidine-5-carboxamide bound to human chk1 kinase domain
分子名称: 2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2013-03-06
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5ZGX
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BU of 5zgx by Molmil
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGF
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BU of 5zgf by Molmil
Crystal structure of NDM-1 Q123G mutant
分子名称: HYDROXIDE ION, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-08
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGI
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BU of 5zgi by Molmil
Crystal structure of NDM-1 at pH6.5 (Succinate) with 1 molecule per asymmetric unit
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-09
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
7D68
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BU of 7d68 by Molmil
Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
分子名称: Glucagon-like peptide 2 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-29
公開日2020-12-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor.
Cell Res., 30, 2020
3E08
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BU of 3e08 by Molmil
H55S mutant Xanthomonas campestris tryptophan 2,3-dioxygenase
分子名称: PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase
著者Mowat, C.G, Campbell, L.P.
登録日2008-07-31
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding
Biochemistry, 47, 2008
3Q8H
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BU of 3q8h by Molmil
Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
分子名称: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-06
公開日2011-01-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
4XFQ
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BU of 4xfq by Molmil
Crystal Structure Basis for PEDV 3C Like Protease
分子名称: PEDV main protease
著者Ye, G, Fu, Z.F, Peng, G.Q.
登録日2014-12-28
公開日2016-01-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
5JVV
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BU of 5jvv by Molmil
Crystal structure and characterization an elongating GH family 16 beta-1,3-glucosyltransferase
分子名称: beta-1,3-glucosyltransferase
著者Qin, Z, Yan, Q, Yang, S, Jiang, Z.
登録日2016-05-11
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Catalytic Mechanism of a Novel Glycoside Hydrolase Family 16 "Elongating" beta-Transglycosylase
J. Biol. Chem., 292, 2017
7DTY
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BU of 7dty by Molmil
Structural basis of ligand selectivity conferred by the human glucose-dependent insulinotropic polypeptide receptor
分子名称: CHOLESTEROL, Gastric inhibitory polypeptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, F.H, Zhang, C, Zhou, Q.T, Hang, K.N, Zou, X.Y, Chen, Y, Wu, F, Rao, Q.D, Dai, A.T, Yin, W.C, Shen, D.D, Zhang, Y, Xia, T, Stevens, R.C, Xu, H.E, Yang, D.H, Zhao, L.H, Wang, M.W.
登録日2021-01-06
公開日2021-08-04
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural insights into hormone recognition by the human glucose-dependent insulinotropic polypeptide receptor.
Elife, 10, 2021
4ZUH
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BU of 4zuh by Molmil
Complex structure of PEDV 3CLpro mutant (C144A) with a peptide substrate.
分子名称: PEDV 3C-Like protease, peptide substrate SAVLQSGF
著者Ye, G, Fu, Z.F, Peng, G.Q.
登録日2015-05-16
公開日2016-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
5ZU6
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BU of 5zu6 by Molmil
A CBM32 derived from alginate lyase B (AlyB-OU02)
分子名称: CBM32 domain, SODIUM ION
著者Liu, W, Lyu, Q, Zhang, K.
登録日2018-05-07
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and biochemical characterization of a multidomain alginate lyase reveals a novel role of CBM32 in CAZymes
Biochim. Biophys. Acta, 1862, 2018
5ZU5
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BU of 5zu5 by Molmil
Crystal structure of a full length alginate lyase with CBM domain
分子名称: GLYCEROL, SODIUM ION, alginate lyase
著者Liu, W, Lyu, Q, Li, Z.
登録日2018-05-07
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and biochemical characterization of a multidomain alginate lyase reveals a novel role of CBM32 in CAZymes
Biochim. Biophys. Acta, 1862, 2018
5ZXN
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BU of 5zxn by Molmil
Crystal structure of CurA from Vibrio vulnificus
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NADP-dependent oxidoreductase
著者Kim, M.-K, Bae, D.-W, Cha, S.-S.
登録日2018-05-21
公開日2019-04-03
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus.
J. Agric. Food Chem., 66, 2018
7CZ5
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BU of 7cz5 by Molmil
Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex
分子名称: CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-07
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
7DAT
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BU of 7dat by Molmil
The crystal structure of COVID-19 main protease treated by AF
分子名称: COVID-19 MAIN PROTEASE, GOLD ION
著者He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2020-10-18
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
7DAV
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BU of 7dav by Molmil
The native crystal structure of COVID-19 main protease
分子名称: COVID-19 MAIN PROTEASE
著者He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2020-10-18
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
7DAU
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BU of 7dau by Molmil
The crystal structure of COVID-19 main protease treated by GA
分子名称: COVID-19 MAIN PROTEASE, GOLD ION
著者He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2020-10-18
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
3H2X
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BU of 3h2x by Molmil
Crystal Structure of The Human Lymphoid Tyrosine Phosphatase Catalytic Domain
分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 22
著者Tsai, S.J, Sen, U.
登録日2009-04-14
公開日2009-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the human lymphoid tyrosine phosphatase catalytic domain: insights into redox regulation .
Biochemistry, 48, 2009
3NK6
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BU of 3nk6 by Molmil
Structure of the Nosiheptide-resistance methyltransferase
分子名称: 23S rRNA methyltransferase
著者Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y.
登録日2010-06-18
公開日2010-07-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus
Biochemistry, 49, 2010
3O64
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Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides
分子名称: (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Orth, P.
登録日2010-07-28
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3NK7
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Structure of the Nosiheptide-resistance methyltransferase S-adenosyl-L-methionine Complex
分子名称: 23S rRNA methyltransferase, S-ADENOSYLMETHIONINE
著者Yang, H, Wang, Z, Shen, Y, Wang, P, Murchie, A, Xu, Y.
登録日2010-06-18
公開日2010-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Nosiheptide-Resistance Methyltransferase of Streptomyces actuosus
Biochemistry, 49, 2010
4E86
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Crystal structure of human alpha-defensin 5, HD5 (Leu29Aba mutant)
分子名称: CHLORIDE ION, Defensin-5
著者Wu, X, Pazgier, M.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012
4E82
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Crystal structure of monomeric variant of human alpha-defensin 5, HD5 (Glu21EMe mutant)
分子名称: Defensin-5
著者Pazgier, M.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Functional determinants of human enteric {alpha}-defensin HD5: crucial role for hydrophobicity at dimer interface.
J.Biol.Chem., 287, 2012

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