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5KKW
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BU of 5kkw by Molmil
Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, Cyclohexadienyl dehydratase, SULFATE ION
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-06-22
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
To Be Published
4O5F
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BU of 4o5f by Molmil
Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis in complex with pantothenate and phosphate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-19
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Type III pantothenate kinase from Burkholderia thailandensis in complex with pantothenate and phosphate
To be Published
8I8J
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BU of 8i8j by Molmil
Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.07 A resolution.
Descriptor: 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ...
Authors:Ahmad, N, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2023-02-04
Release date:2023-03-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.07 A resolution.
To Be Published
2RM6
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BU of 2rm6 by Molmil
Glutathione peroxidase-type tryparedoxin peroxidase, reduced form
Descriptor: Glutathione peroxidase-like protein
Authors:Melchers, J, Feher, K, Diechtierow, M, Krauth-Siegel, L, Muhle-Goll, C.
Deposit date:2007-10-09
Release date:2008-07-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase
J.Biol.Chem., 283, 2008
6GVN
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BU of 6gvn by Molmil
Tubulin:TM-3 DARPin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B, Cantos Fernandes, S, Campanacci, V.
Deposit date:2018-06-21
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Insight into microtubule nucleation from tubulin-capping proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
6SNL
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BU of 6snl by Molmil
(R)-selective amine transaminase from Exophiala sideris
Descriptor: CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Telzerow, A, Hakansson, M, Steiner, K.
Deposit date:2019-08-26
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.129 Å)
Cite:Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members.
Chembiochem, 22, 2021
5AK6
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BU of 5ak6 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-02
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
6RX6
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BU of 6rx6 by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 4 (NMT-C0026)
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ...
Authors:Landi, G, Pozzi, C, Mangani, S.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
5YNX
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BU of 5ynx by Molmil
Structure of house dust mite allergen Der f 21 in PEG400
Descriptor: Allergen Der f 21, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Ng, C.L, Chew, F.T, Pang, S.L, Ho, K.L, Teh, A.H, Waterman, J, Rambo, R, Mathavan, I, Beis, K, Say, Y.H.
Deposit date:2017-10-25
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure and epitope analysis of house dust mite allergen Der f 21.
Sci Rep, 9, 2019
6SOZ
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BU of 6soz by Molmil
Glycosylated Trypanosoma brucei transferrin receptor in complex with human transferrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ESAG6, ...
Authors:Trevor, C, Carrington, M, Higgins, M.K.
Deposit date:2019-08-30
Release date:2019-11-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structure of the trypanosome transferrin receptor reveals mechanisms of ligand recognition and immune evasion.
Nat Microbiol, 4, 2019
1RP1
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BU of 1rp1 by Molmil
DOG PANCREATIC LIPASE RELATED PROTEIN 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PANCREATIC LIPASE RELATED PROTEIN 1
Authors:Roussel, A, Cambillau, C.
Deposit date:1998-04-02
Release date:1998-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reactivation of the totally inactive pancreatic lipase RP1 by structure-predicted point mutations.
Proteins, 32, 1998
5FTO
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BU of 5fto by Molmil
Crystal structure of the ALK kinase domain in complex with Entrectinib
Descriptor: ALK TYROSINE KINASE RECEPTOR, Entrectinib
Authors:Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
3K80
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BU of 3k80 by Molmil
Structure of essential protein from Trypanosoma brucei
Descriptor: Antibody, MP18 RNA editing complex protein
Authors:Wu, M.
Deposit date:2009-10-13
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of a key interaction protein from the Trypanosoma brucei editosome in complex with single domain antibodies.
J.Struct.Biol., 174, 2011
3FKZ
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BU of 3fkz by Molmil
X-ray structure of the non covalent swapped form of the S16G/T17N/A19P/A20S/K31C/S32C mutant of bovine pancreatic ribonuclease
Descriptor: Ribonuclease pancreatic
Authors:Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F.
Deposit date:2008-12-18
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
2YIA
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BU of 2yia by Molmil
Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus
Descriptor: POTASSIUM ION, RNA-DIRECTED RNA POLYMERASE
Authors:Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M.
Deposit date:2011-05-11
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
2YI8
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BU of 2yi8 by Molmil
Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus
Descriptor: CHLORIDE ION, POTASSIUM ION, RNA-DIRECTED RNA POLYMERASE
Authors:Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M.
Deposit date:2011-05-11
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
3FL0
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BU of 3fl0 by Molmil
X-ray structure of the non covalent swapped form of the Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
Descriptor: 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, Ribonuclease pancreatic
Authors:Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F.
Deposit date:2008-12-18
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
5WHF
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BU of 5whf by Molmil
Crystal structure of vimentin coil 1B packed in a high-order filamentous form
Descriptor: GLYCEROL, Vimentin
Authors:Obiero, J.M, Pang, A.H, Tsodikov, O.V.
Deposit date:2017-07-16
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A crystal structure of coil 1B of vimentin in the filamentous form provides a model of a high-order assembly of a vimentin filament.
FEBS J., 285, 2018
4OYT
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BU of 4oyt by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid
Descriptor: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-02-13
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
3F8G
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BU of 3f8g by Molmil
The X-ray structure of a dimeric variant of human pancreatic ribonuclease with high cytotoxic and antitumor activities
Descriptor: Ribonuclease pancreatic, SULFATE ION
Authors:Merlino, A, Avella, G, Mazzarella, L, Sica, F.
Deposit date:2008-11-12
Release date:2009-02-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural features for the mechanism of antitumor action of a dimeric human pancreatic ribonuclease variant.
Protein Sci., 18, 2009
8TDI
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BU of 8tdi by Molmil
Structure of P2B11 Glucuronide-3-dehydrogenase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, P2B11 Glucuronide-3-dehydrogenase, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-03
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
6R36
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BU of 6r36 by Molmil
T. brucei farnesyl pyrophosphate synthase (FPPS)
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
Authors:Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
Deposit date:2019-03-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
1VAH
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BU of 1vah by Molmil
Crystal structure of the pig pancreatic-amylase complexed with r-nitrophenyl-a-D-maltoside
Descriptor: Alpha-amylase, pancreatic, CALCIUM ION, ...
Authors:Zhuo, H, Payan, F, Qian, M.
Deposit date:2004-02-17
Release date:2005-04-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the pig pancreatic alpha-amylase complexed with rho-nitrophenyl-alpha-D-maltoside-flexibility in the active site
Protein J., 23, 2004
8CN5
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BU of 8cn5 by Molmil
Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CNE
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BU of 8cne by Molmil
Pa.FabF-C164A in complex with N-(propan-2-yl)-1H-pyrazole-3-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023

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