7JRE
 
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7K1D
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_77291 | | 分子名称: | (3R)-3-{4-[(3R)-4-(3,4-difluorobenzene-1-carbonyl)morpholin-3-yl]-1H-1,2,3-triazol-1-yl}-N-hydroxy-4-(naphthalen-2-yl)butanamide, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Liang, W.G, Deprez, R, Bosc, D, Tang, W. | | 登録日 | 2020-09-07 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 2
To Be Published
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7K1F
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88558 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Liang, W.G, Deprez, R, Bosc, D, Tang, W. | | 登録日 | 2020-09-07 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 4
To Be Published
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7K1E
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88646 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}ethyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Liang, W.G, Deprez, R, Bosc, D, Tang, W. | | 登録日 | 2020-09-07 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 3
To Be Published
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7K59
 | | Structure of apo VCP hexamer generated from bacterially recombinant VCP/p97 | | 分子名称: | Transitional endoplasmic reticulum ATPase | | 著者 | Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y. | | 登録日 | 2020-09-16 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
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7K56
 | | Structure of VCP dodecamer purified from H1299 cells | | 分子名称: | Transitional endoplasmic reticulum ATPase | | 著者 | Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y. | | 登録日 | 2020-09-16 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
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7K57
 | | Structure of apo VCP dodecamer generated from bacterially recombinant VCP/p97 | | 分子名称: | Transitional endoplasmic reticulum ATPase | | 著者 | Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y. | | 登録日 | 2020-09-16 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
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7KEI
 | | DQA1*01:02/DQB1*06:02 in complex with a hemagglutinin peptide from the H1N1 pandemic flu virus. | | 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, HA peptide from 2009 H1N1 pandemic flu virus., ... | | 著者 | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | | 登録日 | 2020-10-10 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a flu peptide.
To Be Published
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7KHW
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7KYJ
 | | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase PA3944, ... | | 著者 | Czub, M.P, Porebski, P.J, Cymborowski, M, Shabalin, I.G, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-12-07 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
To Be Published
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3B2R
 | | Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil | | 分子名称: | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase | | 著者 | Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K. | | 登録日 | 2007-10-19 | | 公開日 | 2008-05-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil.
Mol.Pharmacol., 73, 2008
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7KPP
 | | Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase | | 分子名称: | 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ... | | 著者 | Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-11-12 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
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7KPS
 | | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with AcCoA | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, ... | | 著者 | Czub, M.P, Porebski, P.J, Cymborowski, M, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-11-12 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
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7KYE
 | | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES | | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetyltransferase PA3944, ... | | 著者 | Czub, M.P, Porebski, P.J, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-12-07 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
To Be Published
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7KIP
 | | A 3.4 Angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles | | 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, Spike glycoprotein, ... | | 著者 | Zhang, K, Li, S, Pintilie, G, Chmielewski, D, Schmid, M, Simmons, G, Jin, J, Chiu, W. | | 登録日 | 2020-10-24 | | 公開日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | A 3.4- angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles.
Biorxiv, 2020
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3BAR
 | | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-azido-UMP | | 分子名称: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | 著者 | Liu, Y, Bello, A.M, Poduch, E, Lau, W, Kotra, L.P, Pai, E.F. | | 登録日 | 2007-11-08 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase.
J.Med.Chem., 51, 2008
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3C6G
 | | Crystal structure of CYP2R1 in complex with vitamin D3 | | 分子名称: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | 著者 | Strushkevich, N.V, Min, J, Loppnau, P, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-02-04 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural analysis of CYP2R1 in complex with vitamin D3.
J.Mol.Biol., 380, 2008
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4XEO
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2QE3
 | | Crystal structure of human tl1a extracellular domain | | 分子名称: | CHLORIDE ION, TNF superfamily ligand TL1A | | 著者 | Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C. | | 登録日 | 2007-06-22 | | 公開日 | 2007-07-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
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7KTY
 | | Data clustering and dynamics of chymotrypsinogen average structure | | 分子名称: | Chymotrypsinogen A, SULFATE ION | | 著者 | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | | 登録日 | 2020-11-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
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2QAF
 | | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-UMP | | 分子名称: | Orotidine 5' monophosphate decarboxylase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE | | 著者 | Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F. | | 登録日 | 2007-06-15 | | 公開日 | 2008-04-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase
J.Med.Chem., 51, 2008
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7L4U
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 1h | | 分子名称: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase | | 著者 | Qin, L, Lane, W, Skene, R.J, Dougan, D. | | 登録日 | 2020-12-21 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
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7L4W
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 2d | | 分子名称: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase | | 著者 | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | | 登録日 | 2020-12-21 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
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7L4T
 | | Crystal structure of human monoacylglycerol lipase in complex with compound 1 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ... | | 著者 | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | | 登録日 | 2020-12-21 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
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2QBS
 | | Crystal structure of ptp1b-inhibitor complex | | 分子名称: | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Xu, W. | | 登録日 | 2007-06-18 | | 公開日 | 2008-03-18 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
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