7FC9
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![BU of 7fc9 by Molmil](/molmil-images/mine/7fc9) | Crystal structure of CmABCB1 in lipidic mesophase revealed by LCP-SFX | Descriptor: | ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pan, D, Oyama, R, Sato, T, Nakane, T, Mizunuma, R, Matsuoka, K, Joti, Y, Tono, K, Nango, E, Iwata, S, Nakatsu, T, Kato, H. | Deposit date: | 2021-07-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of CmABCB1 multi-drug exporter in lipidic mesophase revealed by LCP-SFX. Iucrj, 9, 2022
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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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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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1O2D
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![BU of 1o2d by Molmil](/molmil-images/mine/1o2d) | |
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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7FRK
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![BU of 7frk by Molmil](/molmil-images/mine/7frk) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z30820160 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methyl-1,3-thiazol-2-yl)propanamide, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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3ELO
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![BU of 3elo by Molmil](/molmil-images/mine/3elo) | Crystal Structure of Human Pancreatic Prophospholipase A2 | Descriptor: | Phospholipase A2, SULFATE ION | Authors: | Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J. | Deposit date: | 2008-09-22 | Release date: | 2009-04-14 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insight into the activation mechanism of human pancreatic prophospholipase A2 J.Biol.Chem., 284, 2009
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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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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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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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3EZ4
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![BU of 3ez4 by Molmil](/molmil-images/mine/3ez4) | |
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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6RT2
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![BU of 6rt2 by Molmil](/molmil-images/mine/6rt2) | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope | Descriptor: | (3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | Authors: | Napolitano, V, Ratkova, E.L, Dawidowski, M, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | Deposit date: | 2019-05-22 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Water envelope has a critical impact on the design of protein-protein interaction inhibitors. Chem.Commun.(Camb.), 56, 2020
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1LD6
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![BU of 1ld6 by Molmil](/molmil-images/mine/1ld6) | STRUCTURE OF BPTI_8A MUTANT | 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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4ZGQ
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![BU of 4zgq by Molmil](/molmil-images/mine/4zgq) | Structure of Cdc123 bound to eIF2-gammaDIII domain | Descriptor: | Cell division cycle protein 123, Eukaryotic translation initiation factor 2 subunit gamma | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | Deposit date: | 2015-04-23 | Release date: | 2015-10-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features. Structure, 23, 2015
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4ZGN
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![BU of 4zgn by Molmil](/molmil-images/mine/4zgn) | Structure Cdc123 complexed with the C-terminal domain of eIF2gamma | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein 123, Eukaryotic translation initiation factor 2 subunit gamma, ... | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | Deposit date: | 2015-04-23 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features. Structure, 23, 2015
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2N87
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![BU of 2n87 by Molmil](/molmil-images/mine/2n87) | |
7NTY
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![BU of 7nty by Molmil](/molmil-images/mine/7nty) | |
7NU9
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![BU of 7nu9 by Molmil](/molmil-images/mine/7nu9) | Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with ATP and L-leucinol | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-03-11 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol, 5, 2022
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7NU1
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7NU6
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![BU of 7nu6 by Molmil](/molmil-images/mine/7nu6) | Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with ATP in Conformation 1 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-03-11 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol, 5, 2022
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7NU2
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![BU of 7nu2 by Molmil](/molmil-images/mine/7nu2) | Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with the Reaction Intermediate Leu-AMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-03-11 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol, 5, 2022
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7NU5
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![BU of 7nu5 by Molmil](/molmil-images/mine/7nu5) | Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with L-leucine | Descriptor: | LEUCINE, Leucine--tRNA ligase, MAGNESIUM ION, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-03-11 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol, 5, 2022
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7NU8
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![BU of 7nu8 by Molmil](/molmil-images/mine/7nu8) | Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with the Reaction Intermediate Leu-AMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ... | Authors: | Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-03-11 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol, 5, 2022
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