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7TII
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Annealed structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Ishigami, I, Rousseau, D.L, Yeh, S.-R, Russi, S, Cohen, A.
登録日2022-01-13
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
6PM7
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The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution
分子名称: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
著者McPherson, A.
登録日2019-07-01
公開日2020-05-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution
to be published
7TQR
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Crystal Structure of histidine ammonia lyase from Thermoplasma acidophilum
分子名称: Probable histidine ammonia-lyase
著者Wu, K, Dulchavsky, M, Bardwell, J.C.A.
登録日2022-01-26
公開日2022-04-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Microreactor equipped with naturally acid-resistant histidine ammonia lyase from an extremophile.
Mater Adv, 3, 2022
6B15
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BU of 6b15 by Molmil
Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K
分子名称: 1,2-ETHANEDIOL, Amy13K
著者Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M.
登録日2017-09-16
公開日2017-11-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut.
Mol. Microbiol., 107, 2018
6N0M
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CRYSTAL STRUCTURE OF SESTRIN2 IN COMPLEX WITH NV-0005138
分子名称: 4-(difluoromethyl)-L-leucine, Sestrin-2
著者O'Neill, D.
登録日2018-11-07
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Discovery of NV-5138, the first selective Brain mTORC1 activator.
Sci Rep, 9, 2019
5ADB
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Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
8DB1
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Crystal structure of native DMATS1 prenyltransferase
分子名称: Dimethylallyltryptophan synthase 1, TRYPTOPHAN
著者Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W.
登録日2022-06-14
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Biochemistry, 61, 2022
6PMY
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BU of 6pmy by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
7P4P
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BU of 7p4p by Molmil
Structure of the quinolinate synthase A84L variant complexed with citrate
分子名称: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ...
著者Volbeda, A.
登録日2021-07-12
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
6PN9
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Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
5A2O
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BU of 5a2o by Molmil
Crystal structure of the nitrate transporter NRT1.1 from Arabidopsis thaliana in complex with nitrate.
分子名称: NITRATE ION, NITRATE TRANSPORTER 1.1
著者Parker, J.L, Newstead, S.
登録日2015-05-20
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.71 Å)
主引用文献Molecular Basis of Nitrate Uptake by the Plant Nitrate Transporter Nrt1.1.
Nature, 507, 2014
7U69
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BU of 7u69 by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
分子名称: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2022-03-03
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
5A36
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BU of 5a36 by Molmil
Mutations in the Calponin homology domain of Alpha-Actinin-2 affect Actin binding and incorporation in muscle.
分子名称: ALPHA-ACTININ-2
著者Haywood, N.J, Wolny, M, Trinh, C.H, Shuping, Y, Edwards, T.A, Peckham, M.
登録日2015-05-27
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hypertrophic Cardiomyopathy Mutations in the Calponin-Homology Domain of Actn2 Affect Actin Binding and Cardiomyocyte Z-Disc Incorporation.
Biochem.J., 473, 2016
5ACV
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BU of 5acv by Molmil
VIM-2-OX, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening
分子名称: BETA-LACTAMASE, CHLORIDE ION, HYDROXIDE ION, ...
著者Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S.
登録日2015-08-18
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.963 Å)
主引用文献Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
J.Med.Chem., 58, 2015
7U3M
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BU of 7u3m by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with N-methylpiperazine Benzhydroxamic Acid
分子名称: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2022-02-27
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U6A
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BU of 7u6a by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor
分子名称: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2022-03-03
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
6PMP
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BU of 6pmp by Molmil
Crystal structure of a fragment of rat phospholipase Cepsilon EF3-RA1
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1, CALCIUM ION
著者Rugema, N.Y, Lyon, A.M.
登録日2019-07-02
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure of phospholipase C epsilon reveals an integrated RA1 domain and previously unidentified regulatory elements.
Commun Biol, 3, 2020
5AED
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BU of 5aed by Molmil
A bacterial protein structure in glycoside hydrolase family 31
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-GLUCOSIDASE YIHQ, CALCIUM ION
著者Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D.
登録日2015-08-28
公開日2016-02-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
7TLX
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BU of 7tlx by Molmil
Crystal Structure of cytochrome c from Pseudomonas putida S16
分子名称: C-type cytochrome, HEME C
著者Wu, K, Dulchavsky, M, Stull, F, Bardwell, J.C.A.
登録日2022-01-19
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The enzyme pseudooxynicotine amine oxidase from Pseudomonas putida S16 is not an oxidase, but a dehydrogenase.
J.Biol.Chem., 298, 2022
7P6V
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N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag
分子名称: Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate
著者Chung, C.
登録日2021-07-18
公開日2021-10-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics.
Chemistry, 27, 2021
8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
分子名称: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
6PO5
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Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2019-07-03
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6VES
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BU of 6ves by Molmil
Human insulin analog: [GluB10,HisA8,ArgA9]-DOI
分子名称: Insulin A chain, Insulin B chain
著者Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
登録日2020-01-02
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mini-Ins: A Minimal, Bioactive Insulin Analog with Alternative Binding Modes
To Be Published
7TOK
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Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE
分子名称: Acetylxylan esterase I
著者Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E.
登録日2022-01-24
公開日2022-04-13
最終更新日2022-11-02
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
6PPV
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Structure of S. pombe Lsm1-7 with RNA, polyuridine with 3' guanosine
分子名称: Probable U6 snRNA-associated Sm-like protein LSm3, Probable U6 snRNA-associated Sm-like protein LSm4, RNA (5'-R(*AP*UP*UP*UP*UP*G)-3'), ...
著者Montemayor, E.J, Butcher, S.E.
登録日2019-07-08
公開日2020-06-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular basis for the distinct cellular functions of the Lsm1-7 and Lsm2-8 complexes.
Rna, 26, 2020

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