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2OLP
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BU of 2olp by Molmil
Structure and ligand selection of hemoglobin II from Lucina pectinata
分子名称: Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gavira, J.A, Camara-Artigas, A, de Jesus, W, Lopez-Garriga, J, Garcia-Ruiz, J.M.
登録日2007-01-19
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Structure and Ligand Selection of Hemoglobin II from Lucina pectinata
J.Biol.Chem., 283, 2008
3T6Y
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BU of 3t6y by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
分子名称: 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
著者Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
登録日2011-07-29
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3RD2
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BU of 3rd2 by Molmil
NIP45 SUMO-like Domain 2
分子名称: NFATC2-interacting protein
著者Perry, J.J.P, Arvai, A.S, Tainer, J.A.
登録日2011-03-31
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DNA repair and global sumoylation are regulated by distinct Ubc9 noncovalent complexes.
Mol.Cell.Biol., 31, 2011
3T70
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BU of 3t70 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
分子名称: 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
著者Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
登録日2011-07-29
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
7MW8
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BU of 7mw8 by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
分子名称: Phosphodiesterase-nucleotide pyrophosphatase, ZINC ION, pApG
著者Fernandez, D, Li, L, Brown, J.A.
登録日2021-05-15
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
3TIP
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BU of 3tip by Molmil
Crystal structure of Staphylococcus aureus SasG E-G52 module
分子名称: Surface protein G
著者Gruszka, D.T, Wojdyla, J.A, Turkenburg, J.P, Potts, J.R.
登録日2011-08-21
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7009 Å)
主引用文献Staphylococcal biofilm-forming protein has a contiguous rod-like structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
2OL2
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BU of 2ol2 by Molmil
High Resolution Structure of Native PCI in Space Group P21
分子名称: GLYCEROL, Plasma serine protease inhibitor
著者Li, W, Huntington, J.A.
登録日2007-01-18
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of native protein C inhibitor provides insight into its multiple functions.
J.Biol.Chem., 282, 2007
2QPE
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BU of 2qpe by Molmil
An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A.
登録日2007-07-23
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An unexpected outcome of surface engineering an integral membrane protein: improved crystallization of cytochrome ba(3) from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 63, 2007
2NOD
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BU of 2nod by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
登録日1998-03-05
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
2QPD
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BU of 2qpd by Molmil
An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A.
登録日2007-07-23
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献An unexpected outcome of surface engineering an integral membrane protein: improved crystallization of cytochrome ba(3) from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 63, 2007
2YDK
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BU of 2ydk by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-22
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
8Q4E
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BU of 8q4e by Molmil
Structure of Legionella pneumophila Lcl C-terminal domain
分子名称: HbP1
著者Rehman, S, Garnett, J.A.
登録日2023-08-06
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Legionella collagen-like protein employs a unique binding mechanism for the recognition of host glycosaminoglycans.
Biorxiv, 2023
8QK8
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BU of 8qk8 by Molmil
Structure of Legionella pneumophila Lcl C-terminal domain bound to sulphate
分子名称: HbP1, SULFATE ION
著者Rehman, S, Garnett, J.A.
登録日2023-09-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Legionella collagen-like protein employs a unique binding mechanism for the recognition of host glycosaminoglycans.
Biorxiv, 2023
2YZ4
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BU of 2yz4 by Molmil
The neutron structure of concanavalin A at 2.2 Angstroms
分子名称: CALCIUM ION, Concanavalin A, MANGANESE (II) ION
著者Ahmed, H.U, Blakeley, M.P, Cianci, M, Hubbard, J.A, Helliwell, J.R.
登録日2007-05-02
公開日2008-02-05
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献The determination of protonation states in proteins.
Acta Crystallogr.,Sect.D, 63, 2007
2YOI
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BU of 2yoi by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Eukaryotes Common Ancestor (LECA) from the Precambrian Period
分子名称: ACETATE ION, CHLORIDE ION, LECA THIOREDOXIN, ...
著者Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2012-10-24
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conservation of protein structure over four billion years.
Structure, 21, 2013
2YPM
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BU of 2ypm by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Animal and Fungi Common Ancestor (LAFCA) from the Precambrian Period
分子名称: LAFCA THIOREDOXIN
著者Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2012-10-30
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
8QME
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BU of 8qme by Molmil
Structural characterization of beta-xyloxidase XynB2 from Geobacillus stearothermophilus CECT43
分子名称: ACETATE ION, Beta-xylosidase, GLYCEROL, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2023-09-22
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Characterization of beta-Xylosidase XynB2 from Geobacillus stearothermophilus CECT43: A Member of the Glycoside Hydrolase Family GH52
Crystals, 14, 2024
2YDI
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BU of 2ydi by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
分子名称: 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2011-03-21
公開日2012-04-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
8Q52
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BU of 8q52 by Molmil
A PBP-like protein built from fragments of different folds
分子名称: Leucine-specific-binding protein,Chemotaxis protein CheY, SULFATE ION
著者Shanmugaratnam, S, Toledo-Patino, S, Goetz, S.K, Farias-Rico, J.A, Hocker, B.
登録日2023-08-08
公開日2024-04-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular handcraft of a well-folded protein chimera.
Febs Lett., 598, 2024
2YN1
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BU of 2yn1 by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Gamma- Proteobacteria Common Ancestor (LGPCA) from the Precambrian Period
分子名称: LGPCA THIOREDOXIN, TRIETHYLENE GLYCOL
著者Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2012-10-11
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
8Q3L
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BU of 8q3l by Molmil
Human Gamma-D Crystallin R36S fresh serial crystallographic structure
分子名称: Gamma-crystallin D
著者Yorke, B.A, Hill, J.A.
登録日2023-08-04
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Gamma-D Crystallin R36S fresh serial crystallographic structure
To Be Published
2YN4
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BU of 2yn4 by Molmil
L-2-chlorobutryic acid bound complex L-haloacid dehalogenase from a Rhodobacteraceae family bacterium
分子名称: (2S)-2-chlorobutanoic acid, L-HALOACID DEHALOGENASE
著者Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A.
登録日2012-10-12
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water.
FEBS J., 280, 2013
2YNE
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BU of 2yne by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor
分子名称: 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
著者Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W.
登録日2012-10-13
公開日2014-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach.
Nat.Chem., 6, 2014
2Y8Y
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BU of 2y8y by Molmil
Structure B of CRISPR endoribonuclease Cse3 bound to 19 nt RNA
分子名称: 5'-R(*UP*CP*CP*CP*CP*AP*CP*GP*CP*GP*UP*GP*UP*GP *GP*GP*DGP*AP*U)-3', CSE3
著者Sashital, D.G, Jinek, M, Doudna, J.A.
登録日2011-02-11
公開日2011-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献An RNA-Induced Conformational Change Required for Crispr RNA Cleavage by the Endoribonuclease Cse3.
Nat.Struct.Mol.Biol., 18, 2011
2Y8W
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BU of 2y8w by Molmil
Structure of CRISPR endoribonuclease Cse3 bound to 20 nt RNA
分子名称: 5'-R(*UP*CP*CP*CP*CP*AP*CP*GP*CP*GP*UP*GP*UP*GP *GP*GP*DGP*AP*UP*G)-3', CSE3
著者Sashital, D.G, Jinek, M, Doudna, J.A.
登録日2011-02-11
公開日2011-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An RNA-Induced Conformational Change Required for Crispr RNA Cleavage by the Endoribonuclease Cse3.
Nat.Struct.Mol.Biol., 18, 2011

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