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6RS6
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BU of 6rs6 by Molmil
X-ray crystal structure of LsAA9B
分子名称: AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
6RS7
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BU of 6rs7 by Molmil
X-ray crystal structure of LsAA9B (deglycosylated form)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
6RS8
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BU of 6rs8 by Molmil
X-ray crystal structure of LsAA9B (transition metals soak)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
6R2W
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BU of 6r2w by Molmil
Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor
分子名称: CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
著者Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
登録日2019-03-19
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
J.Biol.Chem., 295, 2020
6RWF
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BU of 6rwf by Molmil
The dissociation mechanism of processive cellulases
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Glucanase
著者Stahlberg, J, Knott, B.C.
登録日2019-06-04
公開日2019-11-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The dissociation mechanism of processive cellulases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6TD2
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BU of 6td2 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-(diethylamino)ethyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Forsgren, N, Ekstrom, F.
登録日2019-11-07
公開日2020-10-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Physical Mechanisms Governing Substituent Effects on Arene-Arene Interactions in a Protein Milieu.
J.Phys.Chem.B, 124, 2020
6T9D
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BU of 6t9d by Molmil
Crystal structure of a bispecific DutaFab in complex with human VEGF121
分子名称: VP mat DutaFab VH chain, VP mat DutaFab VL chain, Vascular endothelial growth factor A
著者Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
登録日2019-10-28
公開日2020-12-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.905 Å)
主引用文献DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
6TF7
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Human galectin-3c in complex with a galactose derivative
分子名称: 4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide, CHLORIDE ION, Galectin-3, ...
著者Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T.
登録日2019-11-13
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.
Molecules, 24, 2019
5D6A
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BU of 5d6a by Molmil
2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP)
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Predicted ATPase of the ABC class, SODIUM ION
著者Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-08-11
公開日2015-08-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献2.7 Angstrom Crystal Structure of ABC transporter ATPase from Vibrio vulnificus in Complex with Adenylyl-imidodiphosphate (AMP-PNP)
To Be Published
5CXD
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BU of 5cxd by Molmil
1.75 Angstrom resolution crystal structure of the apo-form acyl-carrier-protein synthase (AcpS) (acpS; purification tag off) from Staphylococcus aureus subsp. aureus COL in the I4 space group
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Holo-[acyl-carrier-protein] synthase, ...
著者Halavaty, A.S, Minasov, G, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-07-28
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献1.75 Angstrom resolution crystal structure of the apo-form acyl-carrier-protein synthase (AcpS) (acpS; purification tag off) from Staphylococcus aureus subsp. aureus COL in the I4 space group
To Be Published
5CXW
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BU of 5cxw by Molmil
Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V
分子名称: (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2015-07-29
公開日2016-05-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
5DJ9
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BU of 5dj9 by Molmil
Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ...
著者Filippova, E.V, Minasov, G, Flores, K, Le, H.V, Silverman, R.B, McLeod, R.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-09-01
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine
To Be Published
5CQE
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BU of 5cqe by Molmil
2.1 Angstrom resolution crystal structure of matrix protein 1 (M1; residues 1-164) from Influenza A virus (A/Puerto Rico/8/34(H1N1))
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Halavaty, A.S, Minasov, G, Flores, K, Dubrovska, I, Grimshaw, S, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-07-21
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献2.1 Angstrom resolution crystal structure of matrix protein 1 (M1; residues 1-164) from Influenza A virus (A/Puerto Rico/8/34(H1N1))
To Be Published
9O4L
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BU of 9o4l by Molmil
Crystal structure of Human p38 alpha MAPK in Complex with MW01-8 -066WH
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-phenyl-4-(pyridin-4-yl)pyridazine, Mitogen-activated protein kinase 14
著者Brunzelle, J.S, Shuvalova, L, Roy, S.M, Watterson, D.M.
登録日2025-04-08
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of Human p38 alpha MAPK in Complex with MW01-8 -066WH
To Be Published
9NYT
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BU of 9nyt by Molmil
Crystal structure of Human p38 alpha MAPK in Complex with MW01-32-154JS
分子名称: (3P)-3-(naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ETHANEPEROXOIC ACID, ...
著者Brunzelle, J.S, Shuvalova, L, Roy, S.M, Watterson, D.M.
登録日2025-03-28
公開日2025-04-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Human p38 alpha MAPK in Complex with MW01-32-154JS
To Be Published
8C6G
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BU of 8c6g by Molmil
CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 4 FROM ANOPHELES GAMBIAE (AGAMOBP4) AT PH 6.5
分子名称: AGAP010489-PA, GLYCEROL, SODIUM ION
著者Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
登録日2023-01-11
公開日2023-07-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Influence of pH on indole-dependent heterodimeric interactions between Anopheles gambiae odorant-binding proteins OBP1 and OBP4.
To Be Published
8C6E
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BU of 8c6e by Molmil
CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 4 FROM ANOPHELES GAMBIAE (AGAMOBP4) AT PH 8.5
分子名称: AGAP010489-PA, FE (II) ION, MAGNESIUM ION
著者Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
登録日2023-01-11
公開日2023-07-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Influence of pH on indole-dependent heterodimeric interactions between Anopheles gambiae odorant-binding proteins OBP1 and OBP4.
Int.J.Biol.Macromol., 245, 2023
8C68
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BU of 8c68 by Molmil
CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 4 FROM ANOPHELES GAMBIAE (AGAMOBP4) AT PH 4.6
分子名称: ACETATE ION, AGAP010489-PA, SULFATE ION
著者Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
登録日2023-01-11
公開日2023-07-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Influence of pH on indole-dependent heterodimeric interactions between Anopheles gambiae odorant-binding proteins OBP1 and OBP4.
Int.J.Biol.Macromol., 245, 2023
1MLZ
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BU of 1mlz by Molmil
Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the trans-isomer of amiclenomycin.
分子名称: 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Sandmark, J, Mann, S, Marquet, A, Schneider, G.
登録日2002-09-02
公開日2002-12-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin
J.Biol.Chem., 277, 2002
1U2U
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BU of 1u2u by Molmil
Nmr solution structure of a designed heterodimeric leucine zipper
分子名称: General control protein GCN4
著者Marti, D.N, Bosshard, H.R.
登録日2004-07-20
公開日2004-10-05
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Inverse electrostatic effect: electrostatic repulsion in the unfolded state stabilizes a leucine zipper.
Biochemistry, 43, 2004
3CU7
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BU of 3cu7 by Molmil
Human Complement Component 5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
著者Fredslund, F, Andersen, G.R.
登録日2008-04-16
公開日2008-06-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.105 Å)
主引用文献Structure of and influence of a tick complement inhibitor on human complement component 5
Nat.Immunol., 9, 2008
1NU3
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BU of 1nu3 by Molmil
Limonene-1,2-epoxide hydrolase in complex with valpromide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PROPYLPENTANAMIDE, limonene-1,2-epoxide hydrolase
著者Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L.
登録日2003-01-30
公開日2003-06-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site
EMBO J., 22, 2003
1LNG
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BU of 1lng by Molmil
Crystal Structure of the SRP19-7S.S SRP RNA Complex of M. jannaschii
分子名称: 7S.S SRP RNA, MAGNESIUM ION, Signal recognition particle 19 kDa protein
著者Hainzl, T, Huang, S, Sauer-Eriksson, A.E.
登録日2002-05-03
公開日2002-06-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the SRP19 RNA complex and implications for signal recognition particle assembly.
Nature, 417, 2002
1OGO
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BU of 1ogo by Molmil
Dex49A from Penicillium minioluteum complex with isomaltose
分子名称: DEXTRANASE, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose
著者Larsson, A.M, Stahlberg, J, Jones, T.A.
登録日2003-05-08
公開日2003-09-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Dextranase from Penicillium Minioluteum. Reaction Course, Crystal Structure, and Product Complex
Structure, 11, 2003
1OQ4
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The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Azide.
分子名称: AZIDE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION
著者Moche, M, Ghoshal, A.K, Shanklin, J, Lindqvist, Y.
登録日2003-03-07
公開日2003-05-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Azide and acetate complexes plus two iron-depleted crystal structures of the di-iron enzyme delta 9 stearoyl-ACP desaturase- implications for oxygen activation and catalytic intermediates.
J.Biol.Chem., 278, 2003

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