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5K0A
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BU of 5k0a by Molmil
Structure of an oxidoreductase from Synechocystis sp. PCC6803
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NITRATE ION, PENTAETHYLENE GLYCOL, ...
著者Buey, R.M, de Pereda, J.M, Balsera, M.
登録日2016-05-17
公開日2017-11-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.706 Å)
主引用文献Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6U8N
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BU of 6u8n by Molmil
Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-05
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6TXD
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BU of 6txd by Molmil
Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4)
分子名称: ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ...
著者Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L.
登録日2020-01-14
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
4XKS
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BU of 4xks by Molmil
E. coli BFR variant Y45F
分子名称: Bacterioferritin, SULFATE ION
著者Hemmings, A.M, Le Brun, N.E, Bradley, J.M.
登録日2015-01-12
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Three Aromatic Residues are Required for Electron Transfer during Iron Mineralization in Bacterioferritin.
Angew.Chem.Int.Ed.Engl., 54, 2015
4XS0
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BU of 4xs0 by Molmil
Human methemoglobin in complex with the second and third NEAT domains of IsdH(F365Y/A369F/Y642A) from Staphylococcus aureus
分子名称: CHLORIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A.
登録日2015-01-21
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The structure of haemoglobin bound to the haemoglobin receptor IsdH from Staphylococcus aureus shows disruption of the native alpha-globin haem pocket.
Acta Crystallogr.,Sect.D, 71, 2015
6U7H
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BU of 6u7h by Molmil
Cryo-EM structure of the HCoV-229E spike glycoprotein
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, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, Z, Benlekbir, S, Rubinstein, J.L, Rini, J.M.
登録日2019-09-02
公開日2019-11-13
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
5K8R
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BU of 5k8r by Molmil
Structure of human clustered protocadherin gamma B3 EC1-4
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Nicoludis, J.M, Vogt, B.E, Gaudet, R.
登録日2016-05-30
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antiparallel protocadherin homodimers use distinct affinity- and specificity-mediating regions in cadherin repeats 1-4.
Elife, 5, 2016
4XWU
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BU of 4xwu by Molmil
Structure of the IMP dehydrogenase from Ashbya gossypii
分子名称: Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Buey, R.M, Ledesma-Amaro, R, Balsera, M, de Pereda, J.M, Revuelta, J.L.
登録日2015-01-29
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii.
Appl.Microbiol.Biotechnol., 99, 2015
6U0X
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BU of 6u0x by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
登録日2019-08-15
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
6U1V
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BU of 6u1v by Molmil
Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD
分子名称: Acyl-CoA dehydrogenase domain-containing protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Blake-Hedges, J.M, Pereira, J.H, Barajas, J.F, Adams, P.D, Keasling, J.D.
登録日2019-08-16
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Mechanism of Regioselectivity in an Unusual Bacterial Acyl-CoA Dehydrogenase.
J.Am.Chem.Soc., 142, 2020
6UE0
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BU of 6ue0 by Molmil
Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION
著者Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P.
登録日2019-09-20
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
6UDQ
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BU of 6udq by Molmil
Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament end reconstruction.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-19
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
4XUE
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BU of 4xue by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b
分子名称: 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
6ULU
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BU of 6ulu by Molmil
D104A/S128A S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-10-08
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
1HHS
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BU of 1hhs by Molmil
RNA dependent RNA polymerase from dsRNA bacteriophage phi6
分子名称: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I.
登録日2000-12-28
公開日2001-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanism for Initiating RNA-Dependent RNA Polymerization
Nature, 410, 2001
6U7E
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BU of 6u7e by Molmil
HCoV-229E RBD Class III in complex with human APN
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, Aminopeptidase N, ...
著者Tomlinson, A.C.A, Li, Z, Rini, J.M.
登録日2019-09-02
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
6U8E
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BU of 6u8e by Molmil
Human IMPDH2 treated with ATP, IMP, and NAD+. Filament assembly interface reconstruction.
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-04
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
5K6P
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BU of 5k6p by Molmil
The NMR structure of the m domain tri-helix bundle and C2 of human cardiac Myosin Binding Protein C
分子名称: Myosin-binding protein C, cardiac-type
著者Michie, K.A, Kwan, A.H, Tung, C.S, Guss, J.M, Trewhella, J.
登録日2016-05-25
公開日2016-11-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Highly Conserved Yet Flexible Linker Is Part of a Polymorphic Protein-Binding Domain in Myosin-Binding Protein C.
Structure, 24, 2016
1HHT
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BU of 1hht by Molmil
RNA dependent RNA polymerase from dsRNA bacteriophage phi6 plus template
分子名称: DNA (5'-(*TP*TP*TP*CP*C)-3'), MANGANESE (II) ION, P2 PROTEIN
著者Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I.
登録日2000-12-28
公開日2001-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Mechanism for Initiating RNA-Dependent RNA Polymerization
Nature, 410, 2001
6UDO
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BU of 6udo by Molmil
Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament segment reconstruction.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-19
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
1HLC
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BU of 1hlc by Molmil
X-RAY CRYSTAL STRUCTURE OF THE HUMAN DIMERIC S-LAC LECTIN, L-14-II, IN COMPLEX WITH LACTOSE AT 2.9 ANGSTROMS RESOLUTION
分子名称: HUMAN LECTIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Lobsanov, Y.D, Gitt, M.A, Leffler, H, Barondes, S, Rini, J.M.
登録日1993-10-13
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray crystal structure of the human dimeric S-Lac lectin, L-14-II, in complex with lactose at 2.9-A resolution.
J.Biol.Chem., 268, 1993
6UDP
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BU of 6udp by Molmil
Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Filament assembly interface reconstruction.
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-19
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
5KRD
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BU of 5krd by Molmil
Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and 2-iodophenol (2IP)
分子名称: 2-iodanylphenol, FLAVIN MONONUCLEOTIDE, Nitroreductase
著者Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S.
登録日2016-07-07
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
5KNI
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BU of 5kni by Molmil
Crystal Structure of the wild-type SAM domain of human Tankyrase-1
分子名称: Tankyrase-1
著者Pascal, J.M, McCauley, M, Langelier, M.F, Riccio, A.A.
登録日2016-06-28
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tankyrase Sterile alpha Motif Domain Polymerization Is Required for Its Role in Wnt Signaling.
Structure, 24, 2016
5KOD
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BU of 5kod by Molmil
Crystal Structure of GH3.5 Acyl Acid Amido Synthetase from Arabidopsis thaliana
分子名称: 1H-INDOL-3-YLACETIC ACID, ADENOSINE MONOPHOSPHATE, Indole-3-acetic acid-amido synthetase GH3.5, ...
著者Jez, J.M, Westfall, C.S, Zubieta, C.
登録日2016-06-30
公開日2016-11-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Arabidopsis thaliana GH3.5 acyl acid amido synthetase mediates metabolic crosstalk in auxin and salicylic acid homeostasis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016

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