1PGB
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4YLW
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![BU of 4ylw by Molmil](/molmil-images/mine/4ylw) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wu, D, Ouyang, P, Lu, W, Huang, J. | Deposit date: | 2015-03-06 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound To Be Published
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6JHR
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![BU of 6jhr by Molmil](/molmil-images/mine/6jhr) | The cryo-EM structure of HAV bound to a neutralizing antibody-F6 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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3JSD
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![BU of 3jsd by Molmil](/molmil-images/mine/3jsd) | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | Deposit date: | 2009-09-10 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
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6JHT
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![BU of 6jht by Molmil](/molmil-images/mine/6jht) | The cryo-EM structure of HAV bound to a neutralizing antibody-F9 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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6JHQ
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![BU of 6jhq by Molmil](/molmil-images/mine/6jhq) | The cryo-EM structure of HAV bound to a neutralizing antibody-F4 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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6JHS
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![BU of 6jhs by Molmil](/molmil-images/mine/6jhs) | The cryo-EM structure of HAV bound to a neutralizing antibody-F7 | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors. Plos Biol., 17, 2019
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6UAI
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![BU of 6uai by Molmil](/molmil-images/mine/6uai) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-10 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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6UAO
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![BU of 6uao by Molmil](/molmil-images/mine/6uao) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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6UBE
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![BU of 6ube by Molmil](/molmil-images/mine/6ube) | Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL | Descriptor: | AZIDE ION, GLYCEROL, Peptide LFRAL, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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6U9L
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![BU of 6u9l by Molmil](/molmil-images/mine/6u9l) | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM | Descriptor: | GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | Deposit date: | 2019-09-09 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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8HFD
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![BU of 8hfd by Molmil](/molmil-images/mine/8hfd) | Crystal structure of allantoinase from E. coli BL21 | Descriptor: | Allantoinase, DI(HYDROXYETHYL)ETHER, ZINC ION | Authors: | Lin, E.S, Huang, H.Y, Yang, P.C, Liu, H.W, Huang, C.Y. | Deposit date: | 2022-11-10 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal Structure of Allantoinase from Escherichia coli BL21: A Molecular Insight into a Role of the Active Site Loops in Catalysis. Molecules, 28, 2023
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1SPB
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![BU of 1spb by Molmil](/molmil-images/mine/1spb) | SUBTILISIN BPN' PROSEGMENT (77 RESIDUES) COMPLEXED WITH A MUTANT SUBTILISIN BPN' (266 RESIDUES). CRYSTAL PH 4.6. CRYSTALLIZATION TEMPERATURE 20 C DIFFRACTION TEMPERATURE-160 C | Descriptor: | SODIUM ION, SUBTILISIN BPN', SUBTILISIN BPN' PROSEGMENT | Authors: | Gallagher, D.T, Gilliland, G.L, Wang, L, Bryan, P.N. | Deposit date: | 1995-06-21 | Release date: | 1995-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The prosegment-subtilisin BPN' complex: crystal structure of a specific 'foldase'. Structure, 3, 1995
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1SUB
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![BU of 1sub by Molmil](/molmil-images/mine/1sub) | CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN | Descriptor: | ACETONE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Gallagher, T, Bryan, P, Gilliland, G.L. | Deposit date: | 1992-06-10 | Release date: | 1994-01-31 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Calcium-independent subtilisin by design. Proteins, 16, 1993
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4QYY
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![BU of 4qyy by Molmil](/molmil-images/mine/4qyy) | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | Deposit date: | 2014-07-26 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
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8HLT
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![BU of 8hlt by Molmil](/molmil-images/mine/8hlt) | The co-crystal structure of DYRK2 with YK-2-99B | Descriptor: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer. J.Med.Chem., 66, 2023
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1SUD
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![BU of 1sud by Molmil](/molmil-images/mine/1sud) | CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN | Descriptor: | ACETONE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Gallagher, T, Bryan, P, Gilliland, G.L. | Deposit date: | 1992-06-10 | Release date: | 1994-01-31 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Calcium-independent subtilisin by design. Proteins, 16, 1993
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3ROV
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![BU of 3rov by Molmil](/molmil-images/mine/3rov) | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | Deposit date: | 2011-04-26 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
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1SUC
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1FL5
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![BU of 1fl5 by Molmil](/molmil-images/mine/1fl5) | THE UNLIGANDED GERMLINE PRECURSOR TO THE SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4. | Descriptor: | ANTIBODY GERMLINE PRECURSOR TO ANTIBODY 28B4, SULFATE ION | Authors: | Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2000-08-11 | Release date: | 2001-11-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A comparative analysis of the immunological evolution of antibody 28B4. Biochemistry, 40, 2001
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1FL6
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![BU of 1fl6 by Molmil](/molmil-images/mine/1fl6) | THE HAPTEN COMPLEXED GERMLINE PRECURSOR TO SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4 | Descriptor: | 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID, ANTIBODY GERMLINE PRECURSOR TO 28B4 | Authors: | Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2000-08-11 | Release date: | 2001-11-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A comparative analysis of the immunological evolution of antibody 28B4. Biochemistry, 40, 2001
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1Q4V
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![BU of 1q4v by Molmil](/molmil-images/mine/1q4v) | CRYSTAL STRUCTURE OF ALLO-ILEA2-INSULIN, AN INACTIVE CHIRAL ANALOGUE: IMPLICATIONS FOR THE MECHANISM OF RECEPTOR | Descriptor: | Insulin, PHENOL, ZINC ION | Authors: | Wan, Z.L, Xu, B, Chu, Y.C, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2003-08-04 | Release date: | 2003-08-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of allo-Ile(A2)-insulin, an inactive chiral analogue: implications for the
mechanism of receptor binding. Biochemistry, 42, 2003
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1T1Q
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![BU of 1t1q by Molmil](/molmil-images/mine/1t1q) | NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ABA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | Descriptor: | Insulin, insulin | Authors: | Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2004-04-16 | Release date: | 2004-08-10 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor. J.Mol.Biol., 341, 2004
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1T1P
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![BU of 1t1p by Molmil](/molmil-images/mine/1t1p) | NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | Descriptor: | Insulin, insulin | Authors: | Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2004-04-16 | Release date: | 2004-08-10 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor. J.Mol.Biol., 341, 2004
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3P33
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![BU of 3p33 by Molmil](/molmil-images/mine/3p33) | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2010-10-04 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity To be Published
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