5L0Y
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5L0W
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5LZL
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![BU of 5lzl by Molmil](/molmil-images/mine/5lzl) | Pyrobaculum calidifontis 5-aminolaevulinic acid dehydratase | Descriptor: | Delta-aminolevulinic acid dehydratase, ZINC ION | Authors: | Azim, N, Erskine, P.T, Guo, J, Cooper, J.B. | Deposit date: | 2016-09-30 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis. Acta Crystallogr D Struct Biol, 73, 2017
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5MHB
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![BU of 5mhb by Molmil](/molmil-images/mine/5mhb) | Product-Complex of E.coli 5-Amino Laevulinic Acid Dehydratase | Descriptor: | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, Delta-aminolevulinic acid dehydratase, GLYCEROL, ... | Authors: | Norton, E, Erskine, P.T, Shoolingin-Jordan, P.M, Cooper, J.B. | Deposit date: | 2016-11-23 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis. Acta Crystallogr D Struct Biol, 73, 2017
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1GOQ
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1GOO
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![BU of 1goo by Molmil](/molmil-images/mine/1goo) | Thermostable xylanase I from Thermoascus aurantiacus - Cryocooled glycerol complex | Descriptor: | ENDO-1,4-BETA-XYLANASE, GLYCEROL | Authors: | Eckert, K, Andrei, C, Larsen, S, Lo Leggio, L. | Deposit date: | 2001-10-22 | Release date: | 2001-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Substrate Specificity and Subsite Mobility in T. Aurantiacus Xylanase 10A FEBS Lett., 509, 2001
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6RLN
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![BU of 6rln by Molmil](/molmil-images/mine/6rln) | Crystal structure of RIP1 kinase in complex with GSK3145095 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide | Authors: | Thorpe, J.H, Harris, P.A. | Deposit date: | 2019-05-02 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer. Acs Med.Chem.Lett., 10, 2019
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6RN8
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![BU of 6rn8 by Molmil](/molmil-images/mine/6rn8) | RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate | Descriptor: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Convery, M.A, Haile, P.A. | Deposit date: | 2019-05-08 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases. J.Med.Chem., 62, 2019
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6GIU
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![BU of 6giu by Molmil](/molmil-images/mine/6giu) | Human IMPase with L-690330 | Descriptor: | GLYCEROL, Inositol monophosphatase 1, MANGANESE (II) ION, ... | Authors: | Kraft, L.V, Roe, S.M. | Deposit date: | 2018-05-15 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Co-crystallization of human inositol monophosphatase with the lithium mimetic L-690,330. Acta Crystallogr D Struct Biol, 74, 2018
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6R5F
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![BU of 6r5f by Molmil](/molmil-images/mine/6r5f) | Crystal structure of RIP1 kinase in complex with DHP77 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | Authors: | Thorpe, J.H, Campobasso, N, Harris, P.A. | Deposit date: | 2019-03-25 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem., 62, 2019
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7Z1H
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![BU of 7z1h by Molmil](/molmil-images/mine/7z1h) | VAR2CSA APO | Descriptor: | VAR2CSA APO | Authors: | Raghavan, S.S.R, Wang, K.T. | Deposit date: | 2022-02-24 | Release date: | 2022-11-02 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Cryo-EM reveals the conformational epitope of human monoclonal antibody PAM1.4 broadly reacting with polymorphic malarial protein VAR2CSA. Plos Pathog., 18, 2022
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7Z12
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![BU of 7z12 by Molmil](/molmil-images/mine/7z12) | VAR2 complex with PAM1.4 | Descriptor: | PAM1.4, Heavy Chain, light Chain, ... | Authors: | Raghavan, S.S.R, Wang, K.T. | Deposit date: | 2022-02-24 | Release date: | 2022-11-02 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM reveals the conformational epitope of human monoclonal antibody PAM1.4 broadly reacting with polymorphic malarial protein VAR2CSA. Plos Pathog., 18, 2022
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6GJ0
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![BU of 6gj0 by Molmil](/molmil-images/mine/6gj0) | Human IMPase with Mn | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ... | Authors: | Kraft, L.V, Roe, S.M. | Deposit date: | 2018-05-15 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Co-crystallization of human inositol monophosphatase with the lithium mimetic L-690,330. Acta Crystallogr D Struct Biol, 74, 2018
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6RNA
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![BU of 6rna by Molmil](/molmil-images/mine/6rna) | RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol | Descriptor: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Convery, M.A, Haile, P.A. | Deposit date: | 2019-05-08 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases. J.Med.Chem., 62, 2019
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5HMS
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![BU of 5hms by Molmil](/molmil-images/mine/5hms) | X-ray structure of human recombinant 5-aminolaevulinic acid dehydratase (hrALAD). | Descriptor: | Delta-aminolevulinic acid dehydratase, ZINC ION | Authors: | Butler, D, Erskine, P.T, Cooper, J.B, Shoolingin-Jordan, P.M. | Deposit date: | 2016-01-17 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis. Acta Crystallogr D Struct Biol, 73, 2017
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1XYS
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![BU of 1xys by Molmil](/molmil-images/mine/1xys) | CATALYTIC CORE OF XYLANASE A E246C MUTANT | Descriptor: | CALCIUM ION, XYLANASE A | Authors: | Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W. | Deposit date: | 1994-09-02 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the catalytic core of the family F xylanase from Pseudomonas fluorescens and identification of the xylopentaose-binding sites. Structure, 2, 1994
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3I05
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5TX5
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![BU of 5tx5 by Molmil](/molmil-images/mine/5tx5) | Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 | Descriptor: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Campobasso, N, Ward, P, Thrope, J. | Deposit date: | 2016-11-15 | Release date: | 2017-07-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J. Med. Chem., 60, 2017
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3IPB
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![BU of 3ipb by Molmil](/molmil-images/mine/3ipb) | Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (11 carbon linker). | Descriptor: | 2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin | Authors: | Kolstoe, S.E, Wood, S.P, Pepys, M.B. | Deposit date: | 2009-08-17 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IPE
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![BU of 3ipe by Molmil](/molmil-images/mine/3ipe) | Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (7 carbon linker). | Descriptor: | 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin | Authors: | Kolstoe, S.E, Wood, S.P, Pepys, M.B. | Deposit date: | 2009-08-17 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Trapping of palindromic ligands within native transthyretin prevents amyloid formation. Proc.Natl.Acad.Sci.USA, 107, 2010
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2LNV
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3KBA
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![BU of 3kba by Molmil](/molmil-images/mine/3kba) | Progesterone receptor bound to sulfonamide pyrrolidine partial agonist | Descriptor: | 2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile, Progesterone receptor, SULFATE ION | Authors: | Kallander, L.S, Washburn, D.G, Williams, S.P, Madauss, K.P. | Deposit date: | 2009-10-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improving the developability profile of pyrrolidine progesterone receptor partial agonists. Bioorg.Med.Chem.Lett., 20, 2010
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3M1O
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6HMX
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3BYR
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![BU of 3byr by Molmil](/molmil-images/mine/3byr) | Mode of Action of a Putative Zinc Transporter CzrB (Zn form) | Descriptor: | CzrB protein, ZINC ION | Authors: | Cherezov, V, Srinivasan, V, Szebenyi, D.M.E, Caffrey, M. | Deposit date: | 2008-01-16 | Release date: | 2008-09-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the Mode of Action of a Putative Zinc Transporter CzrB in Thermus thermophilus Structure, 16, 2008
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