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5E5K
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BU of 5e5k by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
著者Kovalevsky, A.Y, Das, A.
登録日2015-10-08
公開日2016-05-04
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION
主引用文献Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
6L1L
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BU of 6l1l by Molmil
Apo-BacF structure from Bacillus subtillis
分子名称: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Balasubramanian, G, Deshmukh, A.A.
登録日2019-09-29
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the catalytic mechanism of Bacillus subtilis BacF.
Acta Crystallogr.,Sect.F, 76, 2020
6L2C
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BU of 6l2c by Molmil
Crystal structure of Aspergillus fumigatus mitochondrial acetyl-CoA acetyltransferase in complex with CoA
分子名称: Acetyl-CoA-acetyltransferase, putative, COENZYME A
著者Zhang, Y, Wei, W, Raimi, O.G, Ferenbach, A.T, Fang, W.
登録日2019-10-03
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Aspergillus fumigatus Mitochondrial Acetyl Coenzyme A Acetyltransferase as an Antifungal Target.
Appl.Environ.Microbiol., 86, 2020
6L39
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BU of 6l39 by Molmil
Cytochrome P450 107G1 (RapN)
分子名称: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
6L0S
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BU of 6l0s by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with L-Cysteine
分子名称: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
著者Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
登録日2019-09-26
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
2RJC
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BU of 2rjc by Molmil
Crystal structure of L3MBTL1 protein in complex with MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION
著者Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
登録日2007-10-14
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
6LAE
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BU of 6lae by Molmil
Crystal structure of the DNA-binding domain of human XPA in complex with DNA
分子名称: DNA (5'-D(P*GP*CP*AP*TP*CP*TP*CP*GP*CP*CP*T)-3'), DNA (5'-D(P*TP*GP*GP*CP*GP*AP*GP*AP*TP*GP*C)-3'), DNA repair protein complementing XP-A cells, ...
著者Lian, F.M, Yang, X, Jiang, Y.L, Yang, F, Li, C, Yang, W, Qian, C.
登録日2019-11-12
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献New structural insights into the recognition of undamaged splayed-arm DNA with a single pair of non-complementary nucleotides by human nucleotide excision repair protein XPA.
Int.J.Biol.Macromol., 148, 2020
6L7D
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BU of 6l7d by Molmil
Mycobacterium tuberculosis enolase mutant - S42A
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
6LHH
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BU of 6lhh by Molmil
Crystal structure of chicken 8mer-BF2*1501
分子名称: ARG-ARG-ARG-GLU-GLN-THR-ASP-TYR, Beta-2-microglobulin, MHC class I
著者Liu, Y.J, Xia, C.
登録日2019-12-08
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
著者Luo, Z.P, Lin, X, Xu, F, Han, G.W.
登録日2019-12-10
公開日2020-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
6LGO
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BU of 6lgo by Molmil
Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with homolanthionine
分子名称: (2~{S})-2-azanyl-4-[(3~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid, Cystathionine gamma-synthase
著者Ngo, H.P.T, Nguyen, T.D.Q, Kang, L.W.
登録日2019-12-05
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of cystathionine gamma synthase from Xanthomonas oryzae pv. oryzae in complex with homolanthionine
To Be Published
4UCR
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BU of 4ucr by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
2RJF
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BU of 2rjf by Molmil
Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 12-30), orthorhombic form I
分子名称: Histone H4, Lethal(3)malignant brain tumor-like protein
著者Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
登録日2007-10-14
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
4WBF
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BU of 4wbf by Molmil
Acinetobacter baumannii SDF NDK
分子名称: Nucleoside diphosphate kinase
著者Hu, Y, Liu, Y.
登録日2014-09-03
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural and Functional Characterization of Acinetobacter baumannii Nucleoside Diphosphate Kinase
Prog.Biochem.Biophys., 42, 2015
2RJE
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BU of 2rje by Molmil
Crystal structure of L3MBTL1 in complex with H4K20Me2 (residues 17-25), orthorhombic form II
分子名称: CHLORIDE ION, Histone H4, Lethal(3)malignant brain tumor-like protein
著者Allali-Hassani, A, Liu, Y, Herzanych, N, Ouyang, H, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.R, Structural Genomics Consortium (SGC)
登録日2007-10-14
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
6AVJ
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BU of 6avj by Molmil
Crystal structure of human Mitochondrial inner NEET protein (MiNT)/CISD3
分子名称: CDGSH iron-sulfur domain-containing protein 3, mitochondrial, FE2/S2 (INORGANIC) CLUSTER
著者Lipper, C.H, Karmi, O, Sohn, Y.S, Darash-Yahana, M, Lammert, H, Song, L, Liu, A, Mittler, R, Nechushtai, R, Onuchic, J.N, Jennings, P.A.
登録日2017-09-02
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the human monomeric NEET protein MiNT and its role in regulating iron and reactive oxygen species in cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5CAX
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BU of 5cax by Molmil
CRYSTAL STRUCTURE OF METHANOSARCINA ACETIVORANS METHANOREDOXIN
分子名称: ACETIC ACID, CADMIUM ION, Glutaredoxin, ...
著者Yennawar, N.H, Yennawar, H.P, Ferry, G.J.
登録日2015-06-30
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献Structural and Biochemical Characterizations of Methanoredoxin from Methanosarcina acetivorans, a Glutaredoxin-Like Enzyme with Coenzyme M-Dependent Protein Disulfide Reductase Activity.
Biochemistry, 55, 2016
5EZW
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BU of 5ezw by Molmil
Thiosulfate bound rat cysteine dioxygenase Y157H variant
分子名称: Cysteine dioxygenase type 1, FE (II) ION, THIOSULFATE
著者Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-11-27
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Thiosulfate bound rat cysteine dioxygenase Y157H variant
To be published
6ATL
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BU of 6atl by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: CITRIC ACID, Potassium channel toxin alpha-KTx 4.2, SULFATE ION
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-08-29
公開日2018-02-28
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6ATM
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BU of 6atm by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: Potassium channel toxin alpha-KTx 3.10
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-08-29
公開日2018-08-22
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
To Be Published
2VKL
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BU of 2vkl by Molmil
X-ray crystal structure of the intracellular Chorismate mutase from Mycobactrerium Tuberculosis in complex with malate
分子名称: D-MALATE, RV0948C/MT0975
著者Okvist, M, Roderer, K, Sasso, S, Kast, P, Krengel, U.
登録日2007-12-20
公開日2008-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and Function of a Complex between Chorismate Mutase and Dahp Synthase: Efficiency Boost for the Junior Partner.
Embo J., 28, 2009
4W4X
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BU of 4w4x by Molmil
JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
分子名称: 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3
著者Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
登録日2014-08-15
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
5F23
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BU of 5f23 by Molmil
Crystal structure of NH(3)-dependent NAD(+) synthetase Pseudomonas aeruginosa in complex with NAD
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NH(3)-dependent NAD(+) synthetase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-12-01
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of NH(3)-dependent NAD(+) synthetase Pseudomonas aeruginosa in complex with NAD
to be published
2UXF
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BU of 2uxf by Molmil
Pseudoazurin with engineered amicyanin ligand loop, oxidized form, pH 5.5
分子名称: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
著者Velarde, M, Huber, R, Yanagisawa, S, Dennison, C, Messerschmidt, A.
登録日2007-03-28
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Influence of Loop Shortening on the Metal Binding Site of Cupredoxin Pseudoazurin.
Biochemistry, 46, 2007
2VMA
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BU of 2vma by Molmil
The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae
分子名称: CALCIUM ION, GENERAL SECRETION PATHWAY PROTEIN F, IODIDE ION
著者Abendroth, J, Korotkov, K.V, Mitchell, D.D, Kreger, A, Hol, W.G.J.
登録日2008-01-25
公開日2009-02-10
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Three-Dimensional Structure of the Cytoplasmic Domains of Epsf from the Type 2 Secretion System of Vibrio Cholerae.
J.Struct.Biol., 166, 2009

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