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6FSN
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Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 1)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Roversi, P, Le Cornu, J.D, Hill, J, Alonzi, D.S, Zitzmann, N.
登録日2018-02-19
公開日2019-03-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Front Mol Biosci, 2022
4WVM
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Stonustoxin structure
分子名称: Stonustoxin subunit alpha, Stonustoxin subunit beta
著者Ellisdon, A.M, Panjikar, S, Whisstock, J.C, McGowan, S.
登録日2014-11-06
公開日2015-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Stonefish toxin defines an ancient branch of the perforin-like superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
1KZW
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Solution structure of Human Intestinal Fatty acid binding protein
分子名称: INTESTINAL FATTY ACID-BINDING PROTEIN (A54)
著者Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
登録日2002-02-08
公開日2003-07-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism
Biochemistry, 42, 2003
4X48
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Crystal structure of GluR2 ligand-binding core
分子名称: GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ...
著者Pandit, J.
登録日2014-12-02
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).
J.Med.Chem., 58, 2015
4X53
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Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BICARBONATE ION, Class D beta-lactamase OXA-160
著者Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
登録日2014-12-04
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4X56
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Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Class D beta-lactamase OXA-160
著者Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A.
登録日2014-12-04
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii.
Biochemistry, 54, 2015
4YU5
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BU of 4yu5 by Molmil
Crystal structure of selenomethionine variant of Bacillus anthracis immune inhibitor A2 peptidase zymogen
分子名称: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, CALCIUM ION, GLYCEROL, ...
著者Arolas, J.L, Goulas, T, Gomis-Ruth, F.X.
登録日2015-03-18
公開日2015-10-28
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016
4YU6
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Crystal structure of Bacillus anthracis immune inhibitor A2 peptidase zymogen
分子名称: ACETONITRILE, CALCIUM ION, Immune inhibitor A, ...
著者Arolas, J.L, Goulas, T, Gomis-Ruth, F.X.
登録日2015-03-18
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016
4YJY
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BU of 4yjy by Molmil
Crystal structure of Type III polyketide synthase from Oryza sativa
分子名称: Chalcone synthase 1
著者Wongsantichon, J, Robinson, R.C, Yew, W.S.
登録日2015-03-03
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Synthetic Polyketide Enzymology: Platform for Biosynthesis of Antimicrobial Polyketides
Acs Catalysis, 5, 2015
6GQ5
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Crystal Structure of the PSMalpha3 Peptide Mutant L15A Forming Cross-Alpha Amyloid-like Fibril
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Phenol-soluble modulin alpha 3 peptide
著者Landau, M, Tayeb-Fligelman, E.
登録日2018-06-07
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Staphylococcus aureus PSM alpha 3 Cross-alpha Fibril Polymorphism and Determinants of Cytotoxicity.
Structure, 28, 2020
2ALP
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BU of 2alp by Molmil
REFINED STRUCTURE OF ALPHA-LYTIC PROTEASE AT 1.7 ANGSTROMS RESOLUTION. ANALYSIS OF HYDROGEN BONDING AND SOLVENT STRUCTURE
分子名称: ALPHA-LYTIC PROTEASE, SULFATE ION
著者Fujinaga, M, Delbaere, L.T.J, Brayer, G.D, James, M.N.G.
登録日1985-03-07
公開日1985-07-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Refined structure of alpha-lytic protease at 1.7 A resolution. Analysis of hydrogen bonding and solvent structure.
J.Mol.Biol., 184, 1985
6GQ2
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Crystal Structure of the PSMalpha3 Peptide Mutant K12A Forming Cross-Alpha Amyloid-like Fibril
分子名称: Phenol-soluble modulin alpha 3 peptide, SULFATE ION
著者Landau, M, Tayeb-Fligelman, E.
登録日2018-06-07
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Staphylococcus aureus PSM alpha 3 Cross-alpha Fibril Polymorphism and Determinants of Cytotoxicity.
Structure, 28, 2020
6GQC
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BU of 6gqc by Molmil
Crystal Structure of the PSMalpha3 Peptide Mutant G16A Forming Cross-Alpha Amyloid-like Fibril
分子名称: CHLORIDE ION, Phenol-soluble modulin alpha 3 peptide, SODIUM ION
著者Landau, M, Tayeb-Fligelman, E.
登録日2018-06-07
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Staphylococcus aureus PSM alpha 3 Cross-alpha Fibril Polymorphism and Determinants of Cytotoxicity.
Structure, 28, 2020
4JIX
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BU of 4jix by Molmil
Crystal structure of the metallopeptidase zymogen of Methanocaldococcus jannaschii jannalysin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X.
登録日2013-03-07
公開日2013-06-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases
J.Biol.Chem., 288, 2013
4JIU
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BU of 4jiu by Molmil
Crystal structure of the metallopeptidase zymogen of Pyrococcus abyssi abylysin
分子名称: GLYCEROL, Proabylysin, ZINC ION
著者Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X.
登録日2013-03-07
公開日2013-06-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases
J.Biol.Chem., 288, 2013
6KMP
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100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, Protease
著者Das, A, Kovalevsky, A.
登録日2019-07-31
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
7GQU
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Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ...
著者Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G.
登録日2023-10-19
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQT
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Crystal Structure of Werner helicase fragment 517-945 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ...
著者Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
登録日2023-10-19
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQS
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Crystal Structure of Werner helicase fragment 517-945 in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ...
著者Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
登録日2023-10-19
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
5T8P
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BU of 5t8p by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2
分子名称: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P.A.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
6XJJ
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Structure of non-heme iron enzyme TropC: Radical tropolone biosynthesis
分子名称: 2-oxoglutarate-dependent dioxygenase tropC, ACETATE ION, FE (III) ION, ...
著者Mallik, L, Doyon, T.J, Narayan, A.R.H, Koutmos, M.
登録日2020-06-24
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Radical Tropolone Biosynthesis
Chemrxiv, 2020
1P04
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BU of 1p04 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ISOLEUCINE BORONIC ACID INHIBITOR, SULFATE ION
著者Bone, R, Agard, D.A.
登録日1989-04-24
公開日1990-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1P05
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BU of 1p05 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-NORLEUCINE BORONIC ACID INHIBITOR, SULFATE ION
著者Bone, R, Agard, D.A.
登録日1989-04-24
公開日1990-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1P06
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BU of 1p06 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID INHIBITOR, SULFATE ION
著者Bone, R, Agard, D.A.
登録日1989-04-24
公開日1990-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989
1P02
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BU of 1p02 by Molmil
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES
分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
著者Bone, R, Agard, D.A.
登録日1989-04-24
公開日1990-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of specificity: alpha-lytic protease complexes with analogues of reaction intermediates.
Biochemistry, 28, 1989

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