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6RS6
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BU of 6rs6 by Molmil
X-ray crystal structure of LsAA9B
Descriptor: AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
Deposit date:2019-05-21
Release date:2019-09-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ...
Authors:Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
Deposit date:2019-05-21
Release date:2019-09-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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)
Descriptor: (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, ...
Authors:Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
Deposit date:2019-05-21
Release date:2019-09-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
Authors:Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
Deposit date:2019-03-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Glucanase
Authors:Stahlberg, J, Knott, B.C.
Deposit date:2019-06-04
Release date:2019-11-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Forsgren, N, Ekstrom, F.
Deposit date:2019-11-07
Release date:2020-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: VP mat DutaFab VH chain, VP mat DutaFab VL chain, Vascular endothelial growth factor A
Authors:Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
Deposit date:2019-10-28
Release date:2020-12-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
6TF7
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BU of 6tf7 by Molmil
Human galectin-3c in complex with a galactose derivative
Descriptor: 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, ...
Authors:Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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)
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Predicted ATPase of the ABC class, SODIUM ION
Authors: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)
Deposit date:2015-08-11
Release date:2015-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Holo-[acyl-carrier-protein] synthase, ...
Authors:Halavaty, A.S, Minasov, G, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-07-28
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: (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, ...
Authors: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)
Deposit date:2015-07-29
Release date:2016-05-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 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, ...
Authors: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)
Deposit date:2015-09-01
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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))
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Halavaty, A.S, Minasov, G, Flores, K, Dubrovska, I, Grimshaw, S, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-07-21
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Brunzelle, J.S, Shuvalova, L, Roy, S.M, Watterson, D.M.
Deposit date:2025-04-08
Release date:2025-04-30
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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
Descriptor: (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, ...
Authors:Brunzelle, J.S, Shuvalova, L, Roy, S.M, Watterson, D.M.
Deposit date:2025-03-28
Release date:2025-04-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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
Descriptor: AGAP010489-PA, GLYCEROL, SODIUM ION
Authors:Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
Deposit date:2023-01-11
Release date:2023-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: AGAP010489-PA, FE (II) ION, MAGNESIUM ION
Authors:Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
Deposit date:2023-01-11
Release date:2023-07-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: ACETATE ION, AGAP010489-PA, SULFATE ION
Authors:Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
Deposit date:2023-01-11
Release date:2023-07-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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.
Descriptor: 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Sandmark, J, Mann, S, Marquet, A, Schneider, G.
Deposit date:2002-09-02
Release date:2002-12-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: General control protein GCN4
Authors:Marti, D.N, Bosshard, H.R.
Deposit date:2004-07-20
Release date:2004-10-05
Last modified:2024-10-23
Method:SOLUTION NMR
Cite: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
Descriptor: 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, ...
Authors:Fredslund, F, Andersen, G.R.
Deposit date:2008-04-16
Release date:2008-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.105 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PROPYLPENTANAMIDE, limonene-1,2-epoxide hydrolase
Authors: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.
Deposit date:2003-01-30
Release date:2003-06-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 7S.S SRP RNA, MAGNESIUM ION, Signal recognition particle 19 kDa protein
Authors:Hainzl, T, Huang, S, Sauer-Eriksson, A.E.
Deposit date:2002-05-03
Release date:2002-06-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: DEXTRANASE, alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose
Authors:Larsson, A.M, Stahlberg, J, Jones, T.A.
Deposit date:2003-05-08
Release date:2003-09-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dextranase from Penicillium Minioluteum. Reaction Course, Crystal Structure, and Product Complex
Structure, 11, 2003
1OQ4
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BU of 1oq4 by Molmil
The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Azide.
Descriptor: AZIDE ION, Acyl-[acyl-carrier protein] desaturase, FE (III) ION
Authors:Moche, M, Ghoshal, A.K, Shanklin, J, Lindqvist, Y.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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

238582

数据于2025-07-09公开中

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