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5NOM
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BU of 5nom by Molmil
The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with guanidine
分子名称: GUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ...
著者Huang, L, Wang, J, Lilley, D.M.J.
登録日2017-04-12
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
6TQP
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BU of 6tqp by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
分子名称: 16L protein, Bcl-2-binding component 3, isoforms 1/2, ...
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2019-12-17
公開日2020-06-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.84940946 Å)
主引用文献Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
3MUX
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BU of 3mux by Molmil
The Crystal Structure of a putative 4-hydroxy-2-oxoglutarate aldolase from Bacillus anthracis to 1.45A
分子名称: CHLORIDE ION, SODIUM ION, putative 4-hydroxy-2-oxoglutarate aldolase
著者Stein, A.J, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-05-03
公開日2010-05-12
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Crystal Structure of a putative 4-hydroxy-2-oxoglutarate aldolase from Bacillus anthracis to 1.45A
To be Published
3MX6
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BU of 3mx6 by Molmil
Crystal structure of methionine aminopeptidase from Rickettsia prowazekii bound to methionine
分子名称: MANGANESE (II) ION, METHIONINE, Methionine aminopeptidase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-05-06
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Bioorg.Med.Chem., 25, 2017
5NDD
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BU of 5ndd by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution
分子名称: (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ...
著者Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
登録日2017-03-08
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NDI
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BU of 5ndi by Molmil
The structure of the E.coli guanidine II riboswitch P1 stem-loop
分子名称: GUANIDINE, RNA (5'-R(*UP*UP*UP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*CP*UP*GP*(CBV)P*AP*AP*A)-3'), SODIUM ION
著者Huang, L, Wang, J, Lilley, D.M.J.
登録日2017-03-08
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
5N2Q
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BU of 5n2q by Molmil
MobM Relaxase Domain (MOBV; Mob_Pre) bound to 26nt pMV158 oriT DNA
分子名称: CHLORIDE ION, DNA (26-MER), GLYCEROL, ...
著者Russi, S, Boer, D.R, Coll, M.
登録日2017-02-08
公開日2017-04-12
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of a histidine-DNA nicking/joining mechanism for gene transfer and promiscuous spread of antibiotic resistance.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6TLO
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BU of 6tlo by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6-TRIBROMOBENZOTRIAZOLE
分子名称: 5,6,7-tris(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
6TN6
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BU of 6tn6 by Molmil
X-ray structure of the endo-beta-1,4-mannanase from Thermotoga petrophila
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者da Silva, V.M, Squina, F.M, Sperenca, M, Martin, L, Muniz, J.R.C, Garcia, W, Nicolet, Y.
登録日2019-12-06
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-resolution structure of a modular hyperthermostable endo-beta-1,4-mannanase from Thermotoga petrophila: The ancillary immunoglobulin-like module is a thermostabilizing domain.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
6TLV
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BU of 6tlv by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5-BROMOBENZOTRIAZOLE
分子名称: 6-bromanyl-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
登録日2019-12-03
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
3MUZ
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BU of 3muz by Molmil
E.Coli (lacZ) beta-galactosidase (R599A) in complex with IPTG
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
著者Dugdale, M.L, Vance, M.L, Driedger, M.R, Nibber, A, Tran, A, Huber, R.E.
登録日2010-05-03
公開日2011-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Importance of Arg-599 of b-galactosidase (Escherichia coli) as an anchor for the open conformations of Phe-601 and the active-site loop
Biochem.Cell Biol., 88, 2010
6VB2
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BU of 6vb2 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2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6VB5
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BU of 6vb5 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2019-12-18
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6VCE
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BU of 6vce by Molmil
HIV-1 wild type protease with GRL-026-18A, a crown-like tetrahydropyranotetrahydrofuran with a bridged methylene group as a P2 ligand
分子名称: CHLORIDE ION, GLYCEROL, N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide, ...
著者Wang, Y.-F, Kneller, D.W, Weber, I.T.
登録日2019-12-20
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities.
Acs Med.Chem.Lett., 11, 2020
3NMB
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BU of 3nmb by Molmil
Crystal structure of a putative sugar hydrolase (BACOVA_03189) from Bacteroides ovatus at 2.40 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-06-22
公開日2010-08-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a putative sugar hydrolase (BACOVA_03189) from Bacteroides ovatus at 2.40 A resolution
To be published
3NNB
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BU of 3nnb by Molmil
Crystal structure of an alginate lyase (BACOVA_01668) from Bacteroides ovatus at 1.60 A resolution
分子名称: CITRIC ACID, GLYCEROL, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-06-23
公開日2010-10-06
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of an alginate lyase (BACOVA_01668) from Bacteroides ovatus at 1.60 A resolution
To be published
5OJO
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BU of 5ojo by Molmil
Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-CPS1 peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carbamoyl-phosphate synthase [ammonia], ...
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
6UZP
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BU of 6uzp by Molmil
HLA-B*15:01 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2019-11-15
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献HLA-B*15:01 complexed with a synthetic peptide
To Be Published
5OM4
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BU of 5om4 by Molmil
Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.86A obtained from in meso soaking experiments (24 hour soak).
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Rucktooa, P, Cheng, R.K.Y, Segala, E, Geng, T, Errey, J.C, Brown, G.A, Cooke, R, Marshall, F.H, Dore, A.S.
登録日2017-07-28
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8, 2018
5PO3
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BU of 5po3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10164a
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
6WUE
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BU of 6wue by Molmil
Tetragonal crystal form of SbtB from Synechocystis PCC6803
分子名称: ISOPROPYL ALCOHOL, Membrane-associated protein slr1513, SODIUM ION
著者Bu, G, Simmons, C.R, Nielsen, D.R, Nannenga, B.L.
登録日2020-05-04
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tetragonal crystal form of the cyanobacterial bicarbonate-transporter regulator SbtB from Synechocystis sp. PCC 6803.
Acta Crystallogr.,Sect.F, 76, 2020
5POG
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BU of 5pog by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11063a
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-methylthieno[2,3-b]pyridine-2-carboxamide, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PPA
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BU of 5ppa by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 10)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PQ9
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BU of 5pq9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 46)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PQO
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PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 61)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017

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