3K91
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![BU of 3k91 by Molmil](/molmil-images/mine/3k91) | Polysulfane Bridge in Cu-Zn Superoxide Dismutase | Descriptor: | PENTASULFIDE-SULFUR, Superoxide dismutase [Cu-Zn] | Authors: | You, Z, Cao, X, Taylor, A.B, Hart, P.J, Levine, R.L. | Deposit date: | 2009-10-15 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of a covalent polysulfane bridge in copper-zinc superoxide dismutase . Biochemistry, 49, 2010
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2RDR
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![BU of 2rdr by Molmil](/molmil-images/mine/2rdr) | Crystal Structure of PtlH with Fe/oxalylglycine bound | Descriptor: | 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, FE (III) ION, MAGNESIUM ION, ... | Authors: | You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G. | Deposit date: | 2007-09-24 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis. J.Biol.Chem., 282, 2007
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2RDQ
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![BU of 2rdq by Molmil](/molmil-images/mine/2rdq) | Crystal Structure of PtlH with Fe/alpha ketoglutarate bound | Descriptor: | 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, 2-OXOGLUTARIC ACID, FE (III) ION, ... | Authors: | You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G. | Deposit date: | 2007-09-24 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis. J.Biol.Chem., 282, 2007
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2RDS
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![BU of 2rds by Molmil](/molmil-images/mine/2rds) | Crystal Structure of PtlH with Fe/oxalylglycine and ent-1-deoxypentalenic acid bound | Descriptor: | (1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid, 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, FE (III) ION, ... | Authors: | You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G. | Deposit date: | 2007-09-24 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis. J.Biol.Chem., 282, 2007
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2RDN
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![BU of 2rdn by Molmil](/molmil-images/mine/2rdn) | Crystal Structure of PtlH with AKG and ent-1PL bound | Descriptor: | (1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid, 1-deoxypentalenic acid 11-beta hydroxylase; Fe(II)/alpha-ketoglutarate dependent hydroxylase, 2-OXOGLUTARIC ACID, ... | Authors: | You, Z, Omura, S, Ikeda, H, Cane, D.E, Jogl, G. | Deposit date: | 2007-09-24 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of the Non-heme Iron Dioxygenase PtlH in Pentalenolactone Biosynthesis. J.Biol.Chem., 282, 2007
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5CGN
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![BU of 5cgn by Molmil](/molmil-images/mine/5cgn) | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8 | Descriptor: | CHLORIDE ION, D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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5CGO
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![BU of 5cgo by Molmil](/molmil-images/mine/5cgo) | Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13 | Descriptor: | ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2 | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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4MGP
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![BU of 4mgp by Molmil](/molmil-images/mine/4mgp) | Structure of racemic Ala-(8,13,18) Magainin 2 | Descriptor: | Magainin 2 Derivative | Authors: | Hayouka, Z, Mortenson, D.E, Kreitler, D.F, Weisblum, B, Gellman, S.H, Forest, K.T. | Deposit date: | 2013-08-28 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Evidence for Phenylalanine Zipper-Mediated Dimerization in the X-ray Crystal Structure of a Magainin 2 Analogue. J.Am.Chem.Soc., 135, 2013
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8JZN
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![BU of 8jzn by Molmil](/molmil-images/mine/8jzn) | Structure of a fungal 1,3-beta-glucan synthase | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L. | Deposit date: | 2023-07-05 | Release date: | 2023-10-04 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structure of a fungal 1,3-beta-glucan synthase. Sci Adv, 9, 2023
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2CEU
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![BU of 2ceu by Molmil](/molmil-images/mine/2ceu) | Despentapeptide insulin in acetic acid (pH 2) | Descriptor: | INSULIN, SULFATE ION | Authors: | Whittingham, J.L, Zhang, Y, Zakova, L, Dodson, E.J, Turkenburg, J.P, Brange, J, Dodson, G.G. | Deposit date: | 2006-02-10 | Release date: | 2006-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | I222 Crystal Form of Despentapeptide (B26-B30) Insulin Provides New Insights Into the Properties of Monomeric Insulin. Acta Crystallogr.,Sect.D, 62, 2006
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7SXJ
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![BU of 7sxj by Molmil](/molmil-images/mine/7sxj) | BIO-2895 (BRD0705) bound GSK3beta-axin complex | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7SXG
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![BU of 7sxg by Molmil](/molmil-images/mine/7sxg) | BIO-8546 bound GSK3alpha-axin complex | Descriptor: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Axin peptide, Glycogen synthase kinase-3 alpha | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7SXF
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![BU of 7sxf by Molmil](/molmil-images/mine/7sxf) | BIO-2895 (BRD0705) bound GSK3alpha-axin complex | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ... | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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7SXH
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![BU of 7sxh by Molmil](/molmil-images/mine/7sxh) | BIO-8546 bound GSK3beta-axin complex | Descriptor: | (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-11-23 | Release date: | 2023-06-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Acs Chem Neurosci, 14, 2023
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8TU3
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![BU of 8tu3 by Molmil](/molmil-images/mine/8tu3) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | Descriptor: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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8TU5
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![BU of 8tu5 by Molmil](/molmil-images/mine/8tu5) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 27 | Descriptor: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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8TU4
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![BU of 8tu4 by Molmil](/molmil-images/mine/8tu4) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 25 | Descriptor: | N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
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