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3KAE
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BU of 3kae by Molmil
Cdc27 N-terminus
分子名称: CHLORIDE ION, GLYCEROL, Possible protein of nuclear scaffold, ...
著者Barford, D, Zhang, Z, Roe, S.M.
登録日2009-10-19
公開日2010-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Molecular structure of the N-terminal domain of the APC/C subunit Cdc27 reveals a homo-dimeric tetratricopeptide repeat architecture
J.Mol.Biol., 397, 2010
7U9I
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BU of 7u9i by Molmil
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
分子名称: 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-03-10
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
6VIU
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BU of 6viu by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2020-01-14
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
1W0T
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BU of 1w0t by Molmil
hTRF1 DNA-binding domain in complex with telomeric DNA.
分子名称: 5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP *TP*AP*GP*GP*GP*TP*TP*AP*G)-3', 5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP *AP*CP*CP*CP*TP*AP*AP*CP*A)-3', TELOMERIC REPEAT BINDING FACTOR 1
著者Court, R.I, Chapman, L.M, Fairall, L, Rhodes, D.
登録日2004-06-11
公開日2004-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How the Human Telomeric Proteins Trf1 and Trf2 Recognize Telomeric DNA: A View from High-Resolution Crystal Structures
Embo Rep., 6, 2005
6VON
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BU of 6von by Molmil
Chloroplast ATP synthase (R1, CF1FO)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
著者Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
登録日2020-01-30
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
6TDF
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BU of 6tdf by Molmil
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3
分子名称: 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ...
著者Raimi, O.G, Stanley, M, Lockhart, D.
登録日2019-11-08
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeting a critical step in fungal hexosamine biosynthesis.
J.Biol.Chem., 295, 2020
1W5W
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BU of 1w5w by Molmil
HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
分子名称: (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN
著者Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
登録日2004-08-10
公開日2004-12-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
3ZRD
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BU of 3zrd by Molmil
Oxidised Thiol peroxidase (Tpx) from Yersinia pseudotuberculosis
分子名称: THIOL PEROXIDASE
著者Gabrielsen, M, Zetterstrom, C.E, Wang, D, Elofsson, M, Roe, A.J.
登録日2011-06-15
公開日2012-03-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural Characterisation of Tpx from Yersinia Pseudotuberculosis Reveals Insights Into the Binding of Salicylidene Acylhydrazide Compounds.
Plos One, 7, 2012
1W6U
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BU of 1w6u by Molmil
Structure of human DECR ternary complex
分子名称: 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, HEXANOYL-COENZYME A, ...
著者Alphey, M.S, Byres, E, Li, D, Hunter, W.N.
登録日2004-08-24
公開日2004-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1VZI
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BU of 1vzi by Molmil
Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction
分子名称: CALCIUM ION, CHLORIDE ION, DESULFOFERRODOXIN, ...
著者Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D.
登録日2004-05-19
公開日2004-08-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction.
Structure, 12, 2004
4R80
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BU of 4r80 by Molmil
Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486
分子名称: OR486
著者Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-08-29
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486
To be Published
1VZS
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BU of 1vzs by Molmil
Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria
分子名称: ATP SYNTHASE COUPLING FACTOR 6, MITOCHONDRIAL PRECURSOR
著者Carbajo, R.J, Silvester, J.A, Runswick, M.J, Walker, J.E, Neuhaus, D.
登録日2004-05-25
公開日2004-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of Subunit F(6) from the Peripheral Stalk Region of ATP Synthase from Bovine Heart Mitochondria
J.Mol.Biol., 342, 2004
3ZZJ
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BU of 3zzj by Molmil
Structure of an engineered aspartate aminotransferase
分子名称: ASPARTATE AMINOTRANSFERASE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C.
登録日2011-09-01
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
6W8E
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BU of 6w8e by Molmil
Crystal Structure Analysis of Space-grown Lysozyme
分子名称: CHLORIDE ION, Lysozyme
著者Fernandez, D, Russi, S.
登録日2020-03-20
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Protein structural changes on a CubeSat under rocket acceleration profile.
NPJ Microgravity, 6, 2020
6W8U
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BU of 6w8u by Molmil
Cryo-EM of the Pyrobaculum arsenaticum pilus
分子名称: pilin
著者Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H.
登録日2020-03-21
公開日2020-07-08
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
6TGU
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BU of 6tgu by Molmil
Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3
分子名称: 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha'
著者Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
登録日2019-11-18
公開日2020-07-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (0.833 Å)
主引用文献Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
1XYV
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BU of 1xyv by Molmil
Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, monomer, semiquinone state
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Artali, R, Marchini, N, Meneghetti, F, Cavazzini, D, Bombieri, G, Rossi, G.L, Gilardi, G.
登録日2004-11-11
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Redox properties and crystal structures of a Desulfovibrio vulgaris flavodoxin mutant in the monomeric and homodimeric forms.
Biochim.Biophys.Acta, 1794, 2009
6W1U
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BU of 6w1u by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W3F
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BU of 6w3f by Molmil
Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W
分子名称: Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W
著者Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
6W40
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BU of 6w40 by Molmil
An enumerative algorithm for de novo design of proteins with diverse pocket structures
分子名称: DENOVO NTF2
著者Bera, A.K, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
1XCK
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BU of 1xck by Molmil
Crystal structure of apo GroEL
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 60 kDa chaperonin, DI(HYDROXYETHYL)ETHER, ...
著者Bartolucci, C, Lamba, D, Grazulis, S, Manakova, E, Heumann, H.
登録日2004-09-02
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Crystal structure of wild-type chaperonin GroEL
J.Mol.Biol., 354, 2005
6VZ6
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BU of 6vz6 by Molmil
Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
分子名称: Cytochrome b5-domain protein, PROTOPORPHYRIN IX CONTAINING FE
著者Teakel, S.L, Forwood, J.K, Aragao, D, Cahill, M.A, Marama, M.
登録日2020-02-27
公開日2020-03-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
To Be Published
1X6M
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BU of 1x6m by Molmil
Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa)
分子名称: GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ...
著者Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S.
登録日2004-08-11
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
1XGI
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BU of 1xgi by Molmil
AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid
分子名称: 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase
著者Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K.
登録日2004-09-17
公開日2005-05-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.
J.Am.Chem.Soc., 127, 2005
1XH9
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BU of 1xh9 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005

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