8IWG
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8IX9
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![BU of 8ix9 by Molmil](/molmil-images/mine/8ix9) | Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH | Descriptor: | 2-dehydropantoate 2-reductase, FORMIC ACID, GLYCEROL, ... | Authors: | Choudhury, G.B, Datta, S. | Deposit date: | 2023-03-31 | Release date: | 2024-04-03 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase. Biochemistry, 63, 2024
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6EUM
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![BU of 6eum by Molmil](/molmil-images/mine/6eum) | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | Descriptor: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6EWE
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![BU of 6ewe by Molmil](/molmil-images/mine/6ewe) | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | Descriptor: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | Deposit date: | 2017-11-03 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6FKZ
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3BMN
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![BU of 3bmn by Molmil](/molmil-images/mine/3bmn) | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | Authors: | Martini, V.P, Iulek, J, Tulloch, L.B, Hunter, W.N. | Deposit date: | 2007-12-13 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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3BMQ
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![BU of 3bmq by Molmil](/molmil-images/mine/3bmq) | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Martini, V.P, Iulek, J, Hunter, W.N. | Deposit date: | 2007-12-13 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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3BMO
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![BU of 3bmo by Molmil](/molmil-images/mine/3bmo) | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ... | Authors: | Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B. | Deposit date: | 2007-12-13 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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2N87
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4TKC
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![BU of 4tkc by Molmil](/molmil-images/mine/4tkc) | Japanese Marasmius oreades lectin complexed with mannose | Descriptor: | GLYCEROL, Mannose recognizing lectin, alpha-D-mannopyranose, ... | Authors: | Noma, Y, Shimokawa, M, Maeganeku, C, Motoshima, H, Watanabe, K, Minami, Y, Yagi, F. | Deposit date: | 2014-05-26 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structure of Japanese Marasmius oreades lectin complexed with mannose. To Be Published
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3EV2
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![BU of 3ev2 by Molmil](/molmil-images/mine/3ev2) | Crystal Structure of Ribonuclease A in 70% Isopropanol | Descriptor: | ISOPROPYL ALCOHOL, Ribonuclease pancreatic | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | Deposit date: | 2008-10-12 | Release date: | 2009-06-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method Proteins, 76, 2009
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8GI0
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![BU of 8gi0 by Molmil](/molmil-images/mine/8gi0) | Structure of Trypanosoma docking complex | Descriptor: | Peroxisomal membrane protein PEX14, Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-13 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of Trypanosoma docking complex To Be Published
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1TZ5
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![BU of 1tz5 by Molmil](/molmil-images/mine/1tz5) | [pNPY19-23]-hPP bound to DPC Micelles | Descriptor: | Pancreatic prohormone,neuropeptide Y,Pancreatic prohormone | Authors: | Lerch, M, Kamimori, H, Folkers, G, Aguilar, M.I, Beck-Sickinger, A.G, Zerbe, O. | Deposit date: | 2004-07-09 | Release date: | 2005-07-05 | Last modified: | 2020-01-01 | Method: | SOLUTION NMR | Cite: | Strongly Altered Receptor Binding Properties in PP and NPY Chimeras Are Accompanied by Changes
in Structure and Membrane Binding Biochemistry, 44, 2005
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2X1S
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![BU of 2x1s by Molmil](/molmil-images/mine/2x1s) | Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase | Descriptor: | 3-SULFOPROPANOIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ... | Authors: | Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Castejeijn, M.G, Neubauer, P, Salmon, L, Wierenga, R. | Deposit date: | 2010-01-04 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase Acta Crystallogr.,Sect.D, 66, 2010
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9FEF
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![BU of 9fef by Molmil](/molmil-images/mine/9fef) | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2024-05-19 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex To Be Published
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9FEE
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![BU of 9fee by Molmil](/molmil-images/mine/9fee) | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase | Descriptor: | malate dehydrogenase | Authors: | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2024-05-19 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase To Be Published
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2WD8
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![BU of 2wd8 by Molmil](/molmil-images/mine/2wd8) | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | Deposit date: | 2009-03-20 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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8GGD
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![BU of 8ggd by Molmil](/molmil-images/mine/8ggd) | Structure of Trypanosoma (MDH)4-Pex5, close conformation | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-08 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structure of Trypanosoma (MDH)4-Pex5, close conformation To Be Published
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8GGH
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![BU of 8ggh by Molmil](/molmil-images/mine/8ggh) | Structure of Trypanosoma (MDH)4-PEX5, distal conformation | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-08 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structure of Trypanosoma (MDH)4-PEX5, distal conformation To Be Published
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4RBT
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4RBV
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![BU of 4rbv by Molmil](/molmil-images/mine/4rbv) | |
4RBU
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5RLK
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![BU of 5rlk by Molmil](/molmil-images/mine/5rlk) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419 | Descriptor: | 1-(propan-2-yl)-1H-imidazole-4-sulfonamide, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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8GH3
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![BU of 8gh3 by Molmil](/molmil-images/mine/8gh3) | Structure of Trypanosoma (MDH)4-(Pex5)2, distal conformation | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Sonani, R.R, Artur, B, Jemiola-Rzeminska, M, Lipinski, O, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2023-03-09 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Structure of Trypanosoma (MDH)4-(Pex5)2, distal conformation To Be Published
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1LD5
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![BU of 1ld5 by Molmil](/molmil-images/mine/1ld5) | STRUCTURE OF BPTI MUTANT A16V | Descriptor: | PANCREATIC TRYPSIN INHIBITOR | Authors: | Cierpicki, T, Otlewski, J. | Deposit date: | 2002-04-08 | Release date: | 2002-09-11 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability. J.Mol.Biol., 321, 2002
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