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4RTZ
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BU of 4rtz by Molmil
Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12
分子名称: GLYCEROL, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ...
著者Camara-Artigas, A, Bacarizo, J.
登録日2014-11-16
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.979 Å)
主引用文献Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12
To be Published
6UCD
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BU of 6ucd by Molmil
The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
分子名称: Exotoxin
著者Patel, D, Young, P.G, Bunker, R.D, Baker, E.N, Fraser, J.D.
登録日2019-09-16
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
To Be Published
6SQH
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BU of 6sqh by Molmil
Crystal structure of mouse PRMT6 with partial C-terminal TEV cleavage site
分子名称: Protein arginine N-methyltransferase 6
著者Bonnefond, L, Cavarelli, J.
登録日2019-09-04
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of mouse PRMT6 in complex with inhibitors
To be published
6SW2
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BU of 6sw2 by Molmil
Crystal Structure of P. aeruginosa PqsL in complex with 2-aminobenzoylacetate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-aminophenyl)-3-oxopropanoic acid, DI(HYDROXYETHYL)ETHER, ...
著者Mattevi, A, Rovida, S.
登録日2019-09-19
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Photoinduced monooxygenation involving NAD(P)H-FAD sequential single-electron transfer.
Nat Commun, 11, 2020
4ROB
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BU of 4rob by Molmil
2.8A resolution structure of SRPN2 (K198C) from Anopheles gambiae
分子名称: Serpin 2
著者Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K.
登録日2014-10-28
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献2.8A resolution structure of SRPN2 (K198C) from Anopheles gambiae
To be Published
4RTW
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BU of 4rtw by Molmil
Crystal structure of the c-Src-SH3 domain E93V/Q128R mutant in complex with the high affinity peptide APP12
分子名称: APP12 peptide, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, ...
著者Camara-Artigas, A, Bacarizo, J.
登録日2014-11-16
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of the c-Src-SH3 domain E93V/Q128R mutant in complex with the high affinity peptide APP12
To be Published
6SGV
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BU of 6sgv by Molmil
Crystal structure of AcAChBP in complex with hosieine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hosieine, ...
著者Hunter, W.N, Dawson, A, Parker, H.
登録日2019-08-05
公開日2020-08-26
最終更新日2022-09-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
Acta Crystallogr.,Sect.F, 2022
6SP5
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BU of 6sp5 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA115
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ...
著者Chmelova, K, Markova, K, Damborsky, J, Marek, M.
登録日2019-08-30
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
6S7K
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BU of 6s7k by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-05
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6RUC
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BU of 6ruc by Molmil
THE 3D STRUCTURE OF [NIFESE] HYDROGENASE G491S VARIANT FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH AT 1.20 ANGSTROM RESOLUTION
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ...
著者Matias, P.M, Zacarias, S, Pereita, I.
登録日2019-05-28
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献A Hydrophilic Channel Is Involved in Oxidative Inactivation of a [NiFeSe] Hydrogenase
Acs Catalysis, 2019
6RV0
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BU of 6rv0 by Molmil
human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma); with PMP in the active site
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
著者Giardina, G, Cutruzzola, F, Cellini, B, Mirco, D.
登録日2019-05-30
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cycloserine enantiomers are reversible inhibitors of human alanine:glyoxylate aminotransferase: implications for Primary Hyperoxaluria type 1.
Biochem.J., 476, 2019
6ULB
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BU of 6ulb by Molmil
Sex Hormone-binding globulin mutant E176K in complex with Danazol
分子名称: CALCIUM ION, Danazol, Sex hormone-binding globulin
著者Round, P.W, Das, S, Van Petegem, F.
登録日2019-10-07
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical analyses of danazol interactions with sex hormone-binding globulin and effects on androgen action
To Be Published
6TY7
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BU of 6ty7 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Markova, K, Chaloupkova, R, Damborsky, J, Marek, M.
登録日2020-01-15
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
4RSQ
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BU of 4rsq by Molmil
2.9A resolution structure of SRPN2 (K198C/E359C) from Anopheles gambiae
分子名称: Serpin 2
著者Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K.
登録日2014-11-10
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae.
J.Biol.Chem., 290, 2015
6UH9
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BU of 6uh9 by Molmil
Crystal structure of DAD2 D166A mutant
分子名称: Decreased Apical Dominance 2, TETRAETHYLENE GLYCOL
著者Sharma, P, Hamiaux, C, Snowden, K.C.
登録日2019-09-27
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Flexibility of the petunia strigolactone receptor DAD2 promotes its interaction with signaling partners.
J.Biol.Chem., 295, 2020
6UK5
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BU of 6uk5 by Molmil
Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis
分子名称: ACETATE ION, CalS10, DI(HYDROXYETHYL)ETHER, ...
著者Alvarado, S.K, Miller, M.D, Xu, W, Wang, Z, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N.
登録日2019-10-04
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis
To Be Published
6U4K
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BU of 6u4k by Molmil
Human talin2 residues 1-403
分子名称: Talin-2
著者Izard, T, Rangarajan, E.S, Colgan, L, Yasuda, R, Chinthalapudi, K.
登録日2019-08-26
公開日2020-07-08
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (2.555 Å)
主引用文献A distinct talin2 structure directs isoform specificity in cell adhesion.
J.Biol.Chem., 295, 2020
4RTV
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BU of 4rtv by Molmil
Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12
分子名称: APP12 peptide, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A, Bacarizo, J.
登録日2014-11-16
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12
To be Published
4RTX
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BU of 4rtx by Molmil
Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ...
著者Camara-Artigas, A.
登録日2014-11-16
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
To be Published
6S7W
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BU of 6s7w by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-07
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6RJE
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BU of 6rje by Molmil
Lysostaphin SH3b P4-G5 complex, homesource dataset
分子名称: (2~{R})-2-[[(2~{S})-2-[[(4~{R})-5-azanyl-4-[[(2~{S})-2-azanylpropanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-[2-[2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]ethanoylamino]ethanoylamino]hexanoyl]amino]propanoic acid, Lysostaphin
著者Walters-Morgan, H, Lovering, A.L.
登録日2019-04-26
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two-site recognition of Staphylococcus aureus peptidoglycan by lysostaphin SH3b.
Nat.Chem.Biol., 16, 2020
6RUQ
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BU of 6ruq by Molmil
Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
分子名称: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-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, ...
著者Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S.
登録日2019-05-28
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.65 Å)
主引用文献Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
6RWJ
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BU of 6rwj by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6)
分子名称: Bromodomain-containing protein 4, ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-06-05
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
6S7S
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BU of 6s7s by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-phenylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
分子名称: FORMIC ACID, Fumarate hydratase class II, ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
著者Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
登録日2019-07-05
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
4ROA
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BU of 4roa by Molmil
1.90A resolution structure of SRPN2 (S358W) from Anopheles gambiae
分子名称: Serpin 2
著者Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K.
登録日2014-10-28
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae.
J.Biol.Chem., 290, 2015

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