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5D45
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BU of 5d45 by Molmil
Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Descriptor: 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte
Authors:Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
Deposit date:2015-08-07
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
8IZB
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BU of 8izb by Molmil
Lysophosphatidylserine receptor GPR174-Gs complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Gong, W, Liu, G, Li, X, Zhang, X.
Deposit date:2023-04-06
Release date:2023-11-01
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis for ligand recognition and signaling of the lysophosphatidylserine receptors GPR34 and GPR174.
Plos Biol., 21, 2023
3S1E
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BU of 3s1e by Molmil
Pro427Gln mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ...
Authors:Kopecny, D, Briozzo, P, Morera, S.
Deposit date:2011-05-15
Release date:2012-05-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
6LOJ
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BU of 6loj by Molmil
The complex structure of IpaH9.8-LRR and hGBP1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 1, Invasion plasmid antigen
Authors:Ye, Y, Huang, H.
Deposit date:2020-01-06
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8.
Commun Biol, 3, 2020
3X20
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BU of 3x20 by Molmil
Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 25 min
Descriptor: 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ...
Authors:Yamanaka, Y, Hashimoto, K, Noguchi, N, Yohda, M, Odaka, M.
Deposit date:2014-12-03
Release date:2016-01-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile.
Angew.Chem.Int.Ed.Engl., 54, 2015
5D48
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BU of 5d48 by Molmil
Crystal Structure of FABP4 in complex with 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy) phenyl]-1H-indol-1-yl}propanoic acid
Descriptor: 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid, Fatty acid-binding protein, adipocyte, ...
Authors:Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
Deposit date:2015-08-07
Release date:2016-06-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
8DU3
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BU of 8du3 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with compound 21a
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4M)-6-bromo-4-(furan-2-yl)quinazolin-2-amine, Adenosine receptor A2a, ...
Authors:Shiriaeva, A, Stauch, B, Han, G.W, Cherezov, V.
Deposit date:2022-07-26
Release date:2022-08-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High ligand efficiency quinazoline compounds as novel A 2A adenosine receptor antagonists.
Eur.J.Med.Chem., 241, 2022
2VBF
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BU of 2vbf by Molmil
The holostructure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis
Descriptor: BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G.
Deposit date:2007-09-12
Release date:2007-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
5DGH
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BU of 5dgh by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCP)-IP5
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2015-08-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues.
Chemistry, 22, 2016
6L4Y
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BU of 6l4y by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, ...
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-10-21
Release date:2020-10-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
7YX6
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BU of 7yx6 by Molmil
Crystal structure of YTHDF2 with compound YLI_DF_027
Descriptor: 6-ethyl-1H-pyrimidine-2,4-dione, GLYCEROL, SULFATE ION, ...
Authors:Nai, F, Li, Y, Caflisch, A.
Deposit date:2022-02-15
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7YXE
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BU of 7yxe by Molmil
Crystal structure of YTHDF2 with compound ZA_143
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Nai, F, Zalesak, F, Li, Y, Caflisch, A.
Deposit date:2022-02-15
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
3X24
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BU of 3x24 by Molmil
Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 120 min
Descriptor: 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ...
Authors:Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M.
Deposit date:2014-12-10
Release date:2016-01-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile.
Angew.Chem.Int.Ed.Engl., 54, 2015
1DCD
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BU of 1dcd by Molmil
DESULFOREDOXIN COMPLEXED WITH CD2+
Descriptor: CADMIUM ION, PROTEIN (DESULFOREDOXIN)
Authors:Archer, M, Carvalho, A.L, Teixeira, S, Romao, M.J.
Deposit date:1999-03-20
Release date:1999-07-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein.
Protein Sci., 8, 1999
7Z26
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BU of 7z26 by Molmil
Crystal structure of YTHDF2 YTH domain in complex with m6A RNA
Descriptor: GLYCEROL, RNA (5'-R(P*(6MZ)P*CP*U)-3'), SULFATE ION, ...
Authors:Nai, F, Nachawati, R, Li, Y, Caflisch, A.
Deposit date:2022-02-25
Release date:2022-03-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
7YWB
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BU of 7ywb by Molmil
Crystal structure of YTHDF2 in complex with N6-Methyladenine
Descriptor: CHLORIDE ION, GLYCEROL, N-METHYL-9H-PURIN-6-AMINE, ...
Authors:Nai, F, Li, Y, Caflisch, A.
Deposit date:2022-02-12
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
6L4X
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BU of 6l4x by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
Descriptor: Asparaginyl endopeptidase
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-10-21
Release date:2020-10-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
1LAA
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BU of 1laa by Molmil
X-RAY STRUCTURE OF GLU 53 HUMAN LYSOZYME
Descriptor: HUMAN LYSOZYME
Authors:Harata, K, Muraki, M, Jigami, Y.
Deposit date:1992-06-24
Release date:1993-01-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:X-ray structure of Glu 53 human lysozyme.
Protein Sci., 1, 1992
2VBG
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BU of 2vbg by Molmil
The complex structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis with 2R-1-hydroxyethyl-deazaThDP
Descriptor: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION
Authors:Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G.
Deposit date:2007-09-12
Release date:2007-11-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
2LGY
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BU of 2lgy by Molmil
Ubiquitin-like domain from HOIL-1
Descriptor: RanBP-type and C3HC4-type zinc finger-containing protein 1
Authors:Beasley, S.A, Shaw, G.S.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the E3 ligase HOIL-1 Ubl domain.
Protein Sci., 21, 2012
4N6L
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BU of 4n6l by Molmil
Crystal structure of human cystatin E/M
Descriptor: Cystatin-M
Authors:Dall, E, Brandstetter, H.
Deposit date:2013-10-14
Release date:2015-02-18
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
4N6M
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BU of 4n6m by Molmil
Crystal structure of human cystatin E/M produced in LEXSY
Descriptor: Cystatin-M, SULFATE ION
Authors:Dall, E, Brandstetter, H.
Deposit date:2013-10-14
Release date:2015-02-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
7CXE
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BU of 7cxe by Molmil
The ligand-free structure of human PPARgamma LBD R280C mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Jang, D.M, Han, B.W.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-free structure of human PPARgamma LBD
To Be Published
7CXK
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BU of 7cxk by Molmil
The ligand-free structure of human PPARgamma LBD R288H mutant in the presence of the SRC-1 coactivator peptide
Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, MALONATE ION, Peroxisome proliferator-activated receptor gamma
Authors:Jang, D.M, Han, B.W.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The ligand-free structure of human PPARgamma LBD
To Be Published
7CXH
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BU of 7cxh by Molmil
The ligand-free structure of human PPARgamma LBD Q286E mutant in the presence of the SRC-1 coactivator peptide
Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Jang, D.M, Han, B.W.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ligand-free structure of human PPARgamma LBD
To Be Published

238582

數據於2025-07-09公開中

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