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5A1S
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Crystal structure of the sodium-dependent citrate symporter SeCitS form Salmonella enterica.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, CITRATE ANION, ...
著者Woehlert, D, Groetzinger, M.J, Kuhlbrandt, W, Yildiz, O.
登録日2015-05-05
公開日2016-02-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism of Na(+)-dependent citrate transport from the structure of an asymmetrical CitS dimer.
Elife, 4, 2015
5A2F
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BU of 5a2f by Molmil
Two membrane distal IgSF domains of CD166
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD166 ANTIGEN
著者Chappell, P.E, Johnson, S, Lea, S.M, Brown, M.H.
登録日2015-05-18
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structures of Cd6 and its Ligand Cd166 Give Insight Into Their Interaction.
Structure, 23, 2015
5A2R
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BU of 5a2r by Molmil
A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme Homologue AnCE.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ...
著者Harrison, C, Acharya, K.R.
登録日2015-05-22
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance.
FEBS Open Bio, 5, 2015
5A3E
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BU of 5a3e by Molmil
2.5A structure of lysozyme determined by MicroED with data from a single crystal
分子名称: LYSOZYME C
著者Nannenga, B.L, Shi, D, Leslie, A.G.W, Gonen, T.
登録日2015-05-28
公開日2015-06-17
最終更新日2024-01-10
実験手法ELECTRON CRYSTALLOGRAPHY (2.501 Å)
主引用文献High-Resolution Structure Determination by Continuous-Rotation Data Collection in Microed.
Nat.Methods, 11, 2014
7CXD
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BU of 7cxd by Molmil
Xray structure of rat Galectin-3 CRD in complex with TD-139 belonging to P121 space group
分子名称: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, BROMIDE ION, Galectin-3
著者Kumar, A.
登録日2020-09-01
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
5AA9
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Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAB
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BU of 5aab by Molmil
Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
6LX9
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X-ray structure of human PPARalpha ligand binding domain-arachidonic acid co-crystals obtained by delipidation and cross-seeding
分子名称: ARACHIDONIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6EB2
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BU of 6eb2 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid
分子名称: (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase
著者Lindenberger, J.J, Kobe, M, Kvaratskhelia, M.
登録日2018-08-03
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
5AEZ
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BU of 5aez by Molmil
Crystal structure of Candida albicans Mep2
分子名称: MEP2, nonyl beta-D-glucopyranoside
著者Rutherford, J.C, Chembath, A, van den Berg, B.
登録日2015-01-12
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Basis for Mep2 Ammonium Transceptor Activation by Phosphorylation.
Nat.Commun., 7, 2016
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
7CZ0
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BU of 7cz0 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb92)
分子名称: ACETATE ION, CACODYLATE ION, CACODYLIC ACID, ...
著者Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
登録日2020-09-06
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献An improved fluorescent protein tag and its nanobodies for membrane protein expression, stability assay, and purification
To Be Published
5AID
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BU of 5aid by Molmil
Crystal structure of the Mep2 mutant delta442 from Candida albicans
分子名称: MEP2
著者van den Berg, B, Chembath, A, Rutherford, J.
登録日2015-02-12
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Basis for Mep2 Ammonium Transceptor Activation by Phosphorylation.
Nat.Commun., 7, 2016
6M4K
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BU of 6m4k by Molmil
X-ray crystal structure of wild type alpha-amylase I from Eisenia fetida
分子名称: ACETATE ION, Alpha-amylase, CALCIUM ION, ...
著者Hirano, Y, Tsukamoto, K, Ariki, S, Naka, Y, Ueda, M, Tamada, T.
登録日2020-03-07
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献X-ray crystallographic structural studies of alpha-amylase I from Eisenia fetida.
Acta Crystallogr D Struct Biol, 76, 2020
6M31
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Structural and Functional Insights into an Archaeal Lipid Synthase
分子名称: Digeranylgeranylglyceryl phosphate synthase, LAURYL DIMETHYLAMINE-N-OXIDE, MAGNESIUM ION, ...
著者Ren, S, Cheng, W.
登録日2020-03-02
公開日2021-02-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Insights into an Archaeal Lipid Synthase
Cell Rep, 33, 2020
5AKS
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BU of 5aks by Molmil
Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-3-O- glucuronide
分子名称: DIMETHYL SULFOXIDE, Resveratrol-3-O-glucuronide, SULFATE ION, ...
著者Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R.
登録日2015-03-05
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
7DAJ
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BU of 7daj by Molmil
The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa
分子名称: ACETYL COENZYME *A, Serotonin N-acetyltransferase 1, chloroplastic
著者Zhou, Y.Z, Liao, L.J, Tang, T, Guo, Y, Liu, X.K, Liu, B, Zhao, Y.C.
登録日2020-10-16
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
6M4Q
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BU of 6m4q by Molmil
Cytochrome P450 monooxygenase StvP2 substrate-free structure
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y.
登録日2020-03-08
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
7CZI
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BU of 7czi by Molmil
Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine
分子名称: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Stanfield, J.K, Sugimoto, H, Shoji, O.
登録日2020-09-08
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine at 1.64 Angstrom Resolution
To Be Published
5A6H
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BU of 5a6h by Molmil
Synthesis, carbonic anhydrase inhibition and protein X-ray structure of the unusual natural product primary sulfonamide Psammaplin C
分子名称: CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, PSAMMAPLIN C, ...
著者Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.
登録日2015-06-26
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
7D0T
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BU of 7d0t by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine
分子名称: (1~{S})-2,3-dihydro-1~{H}-inden-1-amine, (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Stanfield, J.K, Sugimoto, H, Shoji, O.
登録日2020-09-11
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine at 1.74 Angstrom Resolution
To Be Published
5ALA
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BU of 5ala by Molmil
Structure of Leishmania major peroxidase D211R mutant (low res)
分子名称: ASCORBATE PEROXIDASE, CALCIUM ION, POTASSIUM ION, ...
著者Chreifi, G, Hollingsworth, S.A, Li, H, Tripathi, S, Arce, A.P, Magana-Garcia, H.I, Poulos, T.L.
登録日2015-03-07
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Enzymatic Mechanism of Leishmania major Peroxidase and the Critical Role of Specific Ionic Interactions.
Biochemistry, 54, 2015
6M7F
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BU of 6m7f by Molmil
Wild-type Cucumene Synthase
分子名称: Cucumene Synthase
著者Blank, P.N, Pemberton, T.A, Christianson, D.W.
登録日2018-08-20
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.051 Å)
主引用文献Crystal Structure of Cucumene Synthase, a Terpenoid Cyclase That Generates a Linear Triquinane Sesquiterpene.
Biochemistry, 57, 2018
7DO4
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BU of 7do4 by Molmil
Crystal structure of CD97-CD55 complex
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, CALCIUM ION, ...
著者Niu, M, Song, G.
登録日2020-12-11
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for CD97 recognition of the decay-accelerating factor CD55 suggests mechanosensitive activation of adhesion GPCRs.
J.Biol.Chem., 296, 2021
5AJ9
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G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ...
著者Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2015-02-20
公開日2016-03-16
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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