6Y6U
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![BU of 6y6u by Molmil](/molmil-images/mine/6y6u) | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6 | Descriptor: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Newman, H, Bellini, D, Dowson, C.G. | Deposit date: | 2020-02-27 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
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6Y6Z
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![BU of 6y6z by Molmil](/molmil-images/mine/6y6z) | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate | Authors: | Newman, H, Bellini, D, Dowson, C.G. | Deposit date: | 2020-02-27 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion. Chem Sci, 11, 2020
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3PJV
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3PJW
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3PJX
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3PJT
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![BU of 3pjt by Molmil](/molmil-images/mine/3pjt) | Structure of Pseudomonas fluorescence LapD EAL domain complexed with c-di-GMP, C2221 | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cyclic dimeric GMP binding protein | Authors: | Sondermann, H, Navarro, M.V.A.S, Krasteva, P. | Deposit date: | 2010-11-10 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5154 Å) | Cite: | Structural Basis for c-di-GMP-Mediated Inside-Out Signaling Controlling Periplasmic Proteolysis. Plos Biol., 9, 2011
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3PJU
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![BU of 3pju by Molmil](/molmil-images/mine/3pju) | Structure of Pseudomonas fluorescence LapD EAL domain complexed with c-di-GMP, P6522 | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cyclic dimeric GMP binding protein | Authors: | Sondermann, H, Navarro, M.V.A.S, Krasteva, P. | Deposit date: | 2010-11-10 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4991 Å) | Cite: | Structural Basis for c-di-GMP-Mediated Inside-Out Signaling Controlling Periplasmic Proteolysis. Plos Biol., 9, 2011
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4K4F
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![BU of 4k4f by Molmil](/molmil-images/mine/4k4f) | Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide] | Descriptor: | 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | Authors: | Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H. | Deposit date: | 2013-04-12 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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8API
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![BU of 8api by Molmil](/molmil-images/mine/8api) | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-1 ANTITRYPSIN (CHAIN A), ... | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | Deposit date: | 1988-09-08 | Release date: | 1990-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism. Protein Eng., 2, 1989
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4KKP
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4KKR
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4KKQ
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4JGW
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8E1G
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![BU of 8e1g by Molmil](/molmil-images/mine/8e1g) | SARS-CoV-2 RBD in complex with Omicron-neutralizing antibody 2A10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2A10 Fab, heavy chain, ... | Authors: | Wasserman, H, Hastie, K.M, Buck, T.K, Saphire, E.O. | Deposit date: | 2022-08-10 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence. Cell Rep, 42, 2023
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7YMQ
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![BU of 7ymq by Molmil](/molmil-images/mine/7ymq) | Crystal structure of lysoplasmalogen specific phopholipase D, F211L mutant | Descriptor: | Lysoplasmalogenase | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7YMR
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![BU of 7ymr by Molmil](/molmil-images/mine/7ymr) | Complex structure of lysoplasmalogen specific phopholipase D, F211L mutant with LPC | Descriptor: | Lysoplasmalogenase, [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7YMP
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![BU of 7ymp by Molmil](/molmil-images/mine/7ymp) | Crystal structure of lysoplasmalogen specific phospholipase D | Descriptor: | Lysoplasmalogenase | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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8BDW
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![BU of 8bdw by Molmil](/molmil-images/mine/8bdw) | Crystal structure of CnaB2 domain from Lactobacillus plantarum | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ... | Authors: | Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S. | Deposit date: | 2022-10-20 | Release date: | 2023-02-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins. Angew.Chem.Int.Ed.Engl., 62, 2023
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5UGW
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![BU of 5ugw by Molmil](/molmil-images/mine/5ugw) | STRUCTURE OF THE HUMAN TELOMERASE THUMB DOMAIN | Descriptor: | GLUTATHIONE, Telomerase reverse transcriptase | Authors: | Skordalakes, E, Hoffman, H. | Deposit date: | 2017-01-10 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Analysis Reveals the Deleterious Effects of Telomerase Mutations in Bone Marrow Failure Syndromes. J. Biol. Chem., 292, 2017
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1VCK
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![BU of 1vck by Molmil](/molmil-images/mine/1vck) | Crystal structure of ferredoxin component of carbazole 1,9a-dioxygenase of Pseudomonas resinovorans strain CA10 | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, HYDROSULFURIC ACID, ... | Authors: | Nam, J.-W, Noguchi, H, Fujiomoto, Z, Mizuno, H, Fushinobu, S, Kobashi, N, Iwata, K, Yoshida, T, Habe, H, Yamane, H, Omori, T, Nojiri, H. | Deposit date: | 2004-03-09 | Release date: | 2005-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the ferredoxin component of carbazole 1,9a-dioxygenase of Pseudomonas resinovorans strain CA10, a novel Rieske non-heme iron oxygenase system PROTEINS, 58, 2005
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7NBN
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![BU of 7nbn by Molmil](/molmil-images/mine/7nbn) | Allostery through DNA drives phenotype switching | Descriptor: | AddAB promoter | Authors: | Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H. | Deposit date: | 2021-01-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Allostery through DNA drives phenotype switching. Nat Commun, 12, 2021
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4FCR
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![BU of 4fcr by Molmil](/molmil-images/mine/4fcr) | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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4FCQ
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![BU of 4fcq by Molmil](/molmil-images/mine/4fcq) | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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2XW6
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![BU of 2xw6 by Molmil](/molmil-images/mine/2xw6) | The Crystal Structure of Methylglyoxal Synthase from Thermus sp. GH5 Bound to Phosphate Ion. | Descriptor: | METHYLGLYOXAL SYNTHASE, PHOSPHATE ION | Authors: | Shahsavar, A, Erfani Moghaddam, M, Antonyuk, S.V, Khajeh, K, Naderi-Manesh, H. | Deposit date: | 2010-11-01 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Atomic Resolution Structure of Methylglyoxal Synthase from Thermus Sp. Gh5 Bound to Phosphate: Insights Into the Distinctive Effects of Phosphate on the Enzyme Structure To be Published
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1HS4
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![BU of 1hs4 by Molmil](/molmil-images/mine/1hs4) | |