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5H87
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BU of 5h87 by Molmil
Crystal structure of mRojoA mutant - P63H - W143S
Descriptor: mRojoA fluorescent protein
Authors:Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F.
Deposit date:2015-12-23
Release date:2016-01-27
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
5KO4
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BU of 5ko4 by Molmil
Bromodomain from Trypanosoma brucei Tb427.10.8150
Descriptor: Putative uncharacterized protein, SULFATE ION
Authors:El Bakkouri, M, Walker, J.R, Hou, C.F.D, Lin, Y.H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2016-06-29
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Bromodomain from Trypanosoma brucei Tb427.10.8150
To be published
5SS9
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BU of 5ss9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCow000000AiWv - (R) isomer
Descriptor: (3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPK
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BU of 5spk by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003296134 - (R) isomer
Descriptor: 3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4LWO
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BU of 4lwo by Molmil
Crystal structure of PRMT6
Descriptor: Arginine N-methyltransferase, putative
Authors:Zhu, Y, Wang, C, Shi, Y, Teng, M.
Deposit date:2013-07-28
Release date:2014-02-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014
4LSM
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BU of 4lsm by Molmil
Crystal structure of a glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde 3-phosphate dehydrogenase, cytosolic, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-07-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi
TO BE PUBLISHED
3I3G
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BU of 3i3g by Molmil
Crystal Structure of Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A
Descriptor: N-acetyltransferase
Authors:Qiu, W, Wernimont, A.K, Marino, K, Zhang, A.Z, Ma, D, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, J Ferguson, M.A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A
To be Published
4LWP
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BU of 4lwp by Molmil
Crystal structure of PRMT6-SAH
Descriptor: Arginine N-methyltransferase, putative, IODIDE ION, ...
Authors:Zhu, Y, Wang, C, Shi, Y, Teng, M.
Deposit date:2013-07-28
Release date:2014-02-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014
5TVF
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BU of 5tvf by Molmil
Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with inhibitor CGP 40215
Descriptor: 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, ...
Authors:Phillips, M.A, Volkov, O.A, Chen, Z, Tomchick, D.R.
Deposit date:2016-11-08
Release date:2017-01-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Relief of autoinhibition by conformational switch explains enzyme activation by a catalytically dead paralog.
Elife, 5, 2016
3UMQ
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BU of 3umq by Molmil
Crystal structure of peptidoglycan recognition protein-S complexed with butyric acid at 2.2 A resolution
Descriptor: GLYCEROL, Peptidoglycan recognition protein 1, butanoic acid
Authors:Pandey, N, Sharma, P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2011-11-14
Release date:2012-07-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site
Arch.Biochem.Biophys., 529, 2013
1O2D
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BU of 1o2d by Molmil
Crystal structure of Alcohol dehydrogenase, iron-containing (TM0920) from Thermotoga maritima at 1.30 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alcohol dehydrogenase, iron-containing, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2003-02-27
Release date:2003-06-10
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of an iron-containing 1,3-propanediol dehydrogenase (TM0920) from Thermotoga maritima at 1.3 A resolution
Proteins, 54, 2004
3KJS
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BU of 3kjs by Molmil
Crystal Structure of T. cruzi DHFR-TS with 3 high affinity DHFR inhibitors: DQ1 inhibitor complex
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schormann, N, Senkovich, O, Chattopadhyay, D.
Deposit date:2009-11-03
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase.
Bioorg.Med.Chem., 18, 2010
5RLJ
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BU of 5rlj by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036
Descriptor: (2S)-2-phenylpropane-1-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 (1.879 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
5RMH
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BU of 5rmh by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1101755952
Descriptor: Helicase, PHOSPHATE ION, ZINC 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 (2.021 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
1HPL
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BU of 1hpl by Molmil
HORSE PANCREATIC LIPASE. THE CRYSTAL STRUCTURE AT 2.3 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, LIPASE
Authors:Bourne, Y, Cambillau, C.
Deposit date:1993-01-27
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Horse pancreatic lipase. The crystal structure refined at 2.3 A resolution.
J.Mol.Biol., 238, 1994
5RLT
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BU of 5rlt by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53116498
Descriptor: 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, 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 (2.43 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
Descriptor: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
Authors:Zhang, Y, Colonna, C, Michot, N.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
4DSH
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BU of 4dsh by Molmil
Crystal structure of reduced UDP-Galactopyranose mutase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2012-02-18
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation.
Biochemistry, 51, 2012
4DSG
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BU of 4dsg by Molmil
Crystal Structure of oxidized UDP-Galactopyranose mutase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ...
Authors:Singh, H, Dhatwalia, R, Tanner, J.J.
Deposit date:2012-02-18
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation.
Biochemistry, 51, 2012
4BES
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BU of 4bes by Molmil
Crystal structure of the Legionella pneumophila FIC domain-containing effector AnkX protein in complex with cytidine monophosphate and phosphocholine
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, PHOSPHOCHOLINE, PHOSPHOCHOLINE TRANSFERASE ANKX, ...
Authors:Campanacci, V, Mukherjee, S, Roy, C.R, Cherfils, J.
Deposit date:2013-03-12
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure of the Legionella Effector Ankx Reveals the Mechanism of Phosphocholine Transfer by the Fic Domain.
Embo J., 32, 2013
2PTZ
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BU of 2ptz by Molmil
Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-out conformation
Descriptor: 1,2-ETHANEDIOL, Enolase, PHOSPHONOACETOHYDROXAMIC ACID, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PU0
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BU of 2pu0 by Molmil
Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-in conformation
Descriptor: 1,2-ETHANEDIOL, Enolase, PHOSPHONOACETOHYDROXAMIC ACID, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PTW
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BU of 2ptw by Molmil
Crystal Structure of the T. brucei enolase complexed with sulphate, identification of a metal binding site IV
Descriptor: 1,2-ETHANEDIOL, Enolase, SULFATE ION, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PTX
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BU of 2ptx by Molmil
Crystal Structure of the T. brucei enolase complexed with sulphate in closed conformation
Descriptor: 1,2-ETHANEDIOL, Enolase, SULFATE ION, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
2PU1
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BU of 2pu1 by Molmil
Crystal Structure of the T. brucei enolase complexed with Fluoro-phosphonoacetohydroxamate (FPAH)
Descriptor: 1,2-ETHANEDIOL, Enolase, ZINC ION, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007

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