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8HV9
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BU of 8hv9 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 12
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
Authors:Dokurno, P.
Deposit date:2022-12-26
Release date:2023-12-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
7CI7
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BU of 7ci7 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIA
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BU of 7cia by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI6
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BU of 7ci6 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
4GHO
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BU of 4gho by Molmil
Crystal Structure Analysis of Streptomyces aureofaciens Ribonuclease S24A mutant
Descriptor: Guanyl-specific ribonuclease Sa, SULFATE ION
Authors:Sevcik, J, Urbanikova, L.
Deposit date:2012-08-08
Release date:2013-08-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Contribution of hydrogen bonds to protein stability
Protein Sci., 23, 2014
1RT8
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BU of 1rt8 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN
Descriptor: SULFATE ION, fimbrin
Authors:Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C.
Deposit date:2003-12-10
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
2ZYE
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BU of 2zye by Molmil
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography
Descriptor: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease
Authors:Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R.
Deposit date:2009-01-20
Release date:2009-03-24
Last modified:2024-05-29
Method:NEUTRON DIFFRACTION (1.9 Å)
Cite:Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
3ABH
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BU of 3abh by Molmil
Crystal structure of the EFC/F-BAR domain of human PACSIN2/Syndapin II (2.0 A)
Descriptor: Protein kinase C and casein kinase substrate in neurons protein 2
Authors:Shimada, A, Shirouzu, M, Hanawa-Suetsugu, K, Terada, T, Umehara, T, Suetsugu, S, Yamamoto, M, Yokoyama, S.
Deposit date:2009-12-11
Release date:2010-04-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping of the basic amino-acid residues responsible for tubulation and cellular protrusion by the EFC/F-BAR domain of pacsin2/Syndapin II
Febs Lett., 584, 2010
3ACO
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BU of 3aco by Molmil
Crystal structure of the EFC/F-BAR domain of human PACSIN2/Syndapin II (2.7 A)
Descriptor: CALCIUM ION, Protein kinase C and casein kinase substrate in neurons protein 2
Authors:Shimada, A, Shirouzu, M, Hanawa-Suetsugu, K, Terada, T, Umehara, T, Suetsugu, S, Yamamoto, M, Yokoyama, S.
Deposit date:2010-01-07
Release date:2010-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mapping of the basic amino-acid residues responsible for tubulation and cellular protrusion by the EFC/F-BAR domain of pacsin2/Syndapin II
Febs Lett., 584, 2010
3AQO
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BU of 3aqo by Molmil
Structure and function of a membrane component SecDF that enhances protein export
Descriptor: Probable SecDF protein-export membrane protein
Authors:Echizen, Y, Tsukazaki, T, Ishitani, R, Nureki, O.
Deposit date:2010-11-16
Release date:2011-05-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of a membrane component SecDF that enhances protein export.
Nature, 474, 2011
2ZJ6
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BU of 2zj6 by Molmil
Crystal structure of D337A mutant of Pseudomonas sp. MIS38 lipase
Descriptor: CALCIUM ION, Lipase, ZINC ION
Authors:Angkawidjaja, C, Kuwahara, K, Kanaya, S.
Deposit date:2008-02-29
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Importance of the Ca2+-binding sites in the N-catalytic domain of a family I.3 lipase for activity and stability
Protein Eng.Des.Sel., 21, 2008
2ZJ7
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BU of 2zj7 by Molmil
Crystal structure of D157A mutant of Pseudomonas sp. MIS38 lipase
Descriptor: CALCIUM ION, Lipase, ZINC ION
Authors:Angkawidjaja, C, Kuwahara, K, Kanaya, S.
Deposit date:2008-02-29
Release date:2008-12-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Importance of the Ca2+-binding sites in the N-catalytic domain of a family I.3 lipase for activity and stability
Protein Eng.Des.Sel., 21, 2008
2E3K
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BU of 2e3k by Molmil
Crystal structure of the human Brd2 second bromodomain in complexed with the acetylated histone H4 peptide
Descriptor: 15-mer peptide from Histone H4, Bromodomain-containing protein 2
Authors:Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-27
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for diacetylated histone H4 tail recognition by the second bromodomain of human BRD2
To be Published
2DVS
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BU of 2dvs by Molmil
Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide
Descriptor: bromodomain-containing protein 2, histone H4
Authors:Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-08-01
Release date:2007-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
2DVR
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BU of 2dvr by Molmil
Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide
Descriptor: bromodomain-containing protein 2, histone H4
Authors:Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-08-01
Release date:2007-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
2DVQ
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BU of 2dvq by Molmil
Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide
Descriptor: Bromodomain-containing protein 2, histone H4
Authors:Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-08-01
Release date:2007-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
6K79
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BU of 6k79 by Molmil
Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate.
Descriptor: GLYCEROL, Glycerol kinase, TRIETHYLENE GLYCOL
Authors:Koga, Y, Angkawidjaja, C, Matsumura, H, Hokao, R.
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural analysis of hexameric structure of glycerol kinase from Thermococcus kodakaraeinsis KOD1
To Be Published
6K78
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BU of 6k78 by Molmil
Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate.
Descriptor: GLYCEROL, Glycerol kinase, TRIETHYLENE GLYCOL
Authors:Koga, Y, Angkawidjaja, C, Matsumura, H, Hokao, R.
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural analysis of hexameric structure of glycerol kinase from Thermococcus kodakaraeinsis KOD1
To Be Published
6K76
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BU of 6k76 by Molmil
Glycerol kinase form Thermococcus kodakarensis, complex structure with substrate.
Descriptor: Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Koga, Y, Angkawidjaja, C, Matsumura, H, Hokao, R.
Deposit date:2019-06-06
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural analysis of hexameric structure of glycerol kinase from Thermococcus kodakaraeinsis KOD1
To Be Published
3AIN
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BU of 3ain by Molmil
R267G mutant of a HSL-like carboxylesterase from Sulfolobus tokodaii
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 303aa long hypothetical esterase, ...
Authors:Angkawidjaja, C, Kanaya, S.
Deposit date:2010-05-16
Release date:2011-06-08
Last modified:2012-09-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and stability of a thermostable carboxylesterase from the thermoacidophilic archaeon Sulfolobustokodaii
Febs J., 279, 2012
3AIO
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BU of 3aio by Molmil
R267K mutant of a HSL-like carboxylesterase from Sulfolobus tokodaii
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 303aa long hypothetical esterase, ...
Authors:Angkawidjaja, C, Kanaya, S.
Deposit date:2010-05-16
Release date:2011-06-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and stability of a thermostable carboxylesterase from the thermoacidophilic archaeon Sulfolobustokodaii
Febs J., 279, 2012
3ASM
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BU of 3asm by Molmil
Crystal structure of Q54A mutant protein of Bst-RNase HIII
Descriptor: Ribonuclease HIII
Authors:Angkawidjaja, C, Kanaya, S.
Deposit date:2010-12-16
Release date:2011-06-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Identification of the substrate binding site in the N-terminal TBP-like domain of RNase H3.
Febs Lett., 585, 2011
3AIK
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BU of 3aik by Molmil
Crystal structure of a HSL-like carboxylesterase from Sulfolobus tokodaii
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 303aa long hypothetical esterase, ...
Authors:Angkawidjaja, C, Kanaya, S.
Deposit date:2010-05-16
Release date:2011-06-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and stability of a thermostable carboxylesterase from the thermoacidophilic archaeon Sulfolobustokodaii
Febs J., 279, 2012
3A71
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BU of 3a71 by Molmil
High resolution structure of Penicillium chrysogenum alpha-L-arabinanase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Exo-arabinanase
Authors:Sogabe, Y.
Deposit date:2009-09-11
Release date:2010-09-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:High-resolution structure of exo-arabinanase from Penicillium chrysogenum
Acta Crystallogr.,Sect.D, 67, 2011
3A72
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BU of 3a72 by Molmil
High resolution structure of Penicillium chrysogenum alpha-L-arabinanase complexed with arabinobiose
Descriptor: Exo-arabinanase, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose
Authors:Sogabe, Y.
Deposit date:2009-09-11
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:High-resolution structure of exo-arabinanase from Penicillium chrysogenum
Acta Crystallogr.,Sect.D, 67, 2011

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数据于2024-06-26公开中

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