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PDB: 2998 results

2VTS
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2W8V
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SPT with PLP, N100W
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
Authors:Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H.
Deposit date:2009-01-19
Release date:2009-01-27
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
J.Biol.Chem., 284, 2009
2WAR
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BU of 2war by Molmil
Hen Egg White Lysozyme E35Q chitopentaose complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME C
Authors:Davies, G.J, Withers, S.G, Vocadlo, D.J.
Deposit date:2009-02-13
Release date:2010-02-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Chitopentaose Complex of a Mutant Hen Egg-White Lysozyme Displays No Distortion of the -1 Sugar Away from a 4C1 Chair Conformation
Aust.J.Chem., 62, 2009
2VTL
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTT
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VQZ
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Structure of the cap-binding domain of influenza virus polymerase subunit PB2 with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, POLYMERASE BASIC PROTEIN 2
Authors:Guilligay, D, Tarendeau, F, Resa-Infante, P, Coloma, R, Crepin, T, Sehr, P, Lewis, J, Ruigrok, R.W.H, Ortin, J, Hart, D.J, Cusack, S.
Deposit date:2008-03-21
Release date:2008-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis for CAP Binding by Influenza Virus Polymerase Subunit Pb2.
Nat.Struct.Mol.Biol., 15, 2008
2WAH
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BU of 2wah by Molmil
Crystal Structure of an IgG1 Fc Glycoform (Man9GlcNAc2)
Descriptor: IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Crispin, M, Bowden, T.A, Coles, C.H, Harlos, K, Aricescu, A.R, Harvey, D.J, Stuart, D.I, Jones, E.Y.
Deposit date:2009-02-06
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Carbohydrate and Domain Architecture of an Immature Antibody Glycoform Exhibiting Enhanced Effector Functions
J.Mol.Biol., 387, 2009
2VWD
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Nipah Virus Attachment Glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-BUTYROLACTONE, ...
Authors:Bowden, T.A, Crispin, M, Harvey, D.J, Aricescu, A.R, Grimes, J.M, Jones, E.Y, Stuart, D.I.
Deposit date:2008-06-20
Release date:2008-10-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure and Carbohydrate Analysis of Nipah Virus Attachment Glycoprotein: A Template for Antiviral and Vaccine Design.
J.Virol., 82, 2008
2VTH
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BU of 2vth by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Descriptor: 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTP
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BU of 2vtp by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VX8
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Vamp7 longin domain Hrb peptide complex
Descriptor: CHLORIDE ION, NUCLEOPORIN-LIKE PROTEIN RIP, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7
Authors:Evans, P.R, Owen, D.J, Luzio, J.P.
Deposit date:2008-07-01
Release date:2008-09-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular Basis for the Sorting of the Snare Vamp7 Into Endocytic Clathrin-Coated Vesicles by the Arfgap Hrb.
Cell(Cambridge,Mass.), 134, 2008
2W8J
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SPT with PLP-ser
Descriptor: SERINE PALMITOYLTRANSFERASE, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Carter, L.G, Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H.
Deposit date:2009-01-16
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
J.Biol.Chem., 284, 2009
2W91
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Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D.
Descriptor: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D, PENTAETHYLENE GLYCOL
Authors:Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B.
Deposit date:2009-01-21
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2W0D
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BU of 2w0d by Molmil
Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Isaksson, J, Nystrom, S, Derbyshire, D.J, Wallberg, H, Agback, T, Kovacs, H, Bertini, I, Felli, I.C.
Deposit date:2008-08-13
Release date:2009-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? a Case Study of Metalloproteinases.
J.Med.Chem., 52, 2009
2W8T
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SPT with PLP, N100C
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
Authors:Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H.
Deposit date:2009-01-19
Release date:2009-01-27
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
J.Biol.Chem., 284, 2009
2VTM
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BU of 2vtm by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VU3
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BU of 2vu3 by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-20
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2W92
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Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D, in complex with NAG-thiazoline.
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D, PENTAETHYLENE GLYCOL
Authors:Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B.
Deposit date:2009-01-21
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2W8U
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SPT with PLP, N100Y
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
Authors:Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H.
Deposit date:2009-01-19
Release date:2009-01-27
Last modified:2015-11-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
J.Biol.Chem., 284, 2009
2WFO
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Crystal structure of Machupo virus envelope glycoprotein GP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCOPROTEIN 1
Authors:Bowden, T.A, Crispin, M, Graham, S.C, Harvey, D.J, Grimes, J.M, Jones, E.Y, Stuart, D.I.
Deposit date:2009-04-09
Release date:2009-06-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Unusual Molecular Architecture of the Machupo Virus Attachment Glycoprotein.
J.Virol., 83, 2009
7OE2
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BU of 7oe2 by Molmil
Model of closed pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction
Descriptor: Haliangium ochraceum Encapsulated ferritin localisation sequence, Linocin_M18 bacteriocin protein
Authors:Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J.
Deposit date:2021-05-01
Release date:2022-02-09
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
7ODW
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BU of 7odw by Molmil
Model of Haliangium ochraceum encapsulin from icosahedral single particle reconstruction
Descriptor: Linocin_M18 bacteriocin protein
Authors:Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J.
Deposit date:2021-04-30
Release date:2022-03-09
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
6PFC
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BU of 6pfc by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.689 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6ITC
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BU of 6itc by Molmil
Structure of a substrate engaged SecA-SecY protein translocation machine
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Ma, C.Y, Wu, X.F, Sun, D.J, Park, E.Y, Rapoport, T.A, Gao, N, Long, L.
Deposit date:2018-11-21
Release date:2019-06-12
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure of the substrate-engaged SecA-SecY protein translocation machine.
Nat Commun, 10, 2019
6J23
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BU of 6j23 by Molmil
Crystal structure of arabidopsis ADAL complexed with GMP
Descriptor: Adenosine/AMP deaminase family protein, GUANOSINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
Deposit date:2018-12-30
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019

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