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5L1Q
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X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F
分子名称: Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5HR2
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BU of 5hr2 by Molmil
Crystal structure of thioredoxin L94A mutant
分子名称: COPPER (II) ION, Thioredoxin
著者Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
登録日2016-01-22
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
5HNV
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BU of 5hnv by Molmil
Crystal structure of PpkA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Li, P.P, Ran, T.T, Wang, W.W.
登録日2016-01-19
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
8D40
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BU of 8d40 by Molmil
Crystal structure of human CELSR1 EC1-4
分子名称: CALCIUM ION, Cadherin EGF LAG seven-pass G-type receptor 1, SODIUM ION
著者Tamilselvan, E, Sotomayor, M.
登録日2022-06-01
公開日2023-08-30
実験手法X-RAY DIFFRACTION (3.554 Å)
主引用文献Crystal structure of human CELSR1 EC1-4
to be published
5HQ1
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BU of 5hq1 by Molmil
Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted.
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Helliwell, J.R.
登録日2016-01-21
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)].
Struct Dyn, 3, 2016
7QWN
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BU of 7qwn by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-01-25
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
5HQI
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BU of 5hqi by Molmil
Insulin with proline analog HzP at position B28 in the T2 state
分子名称: Insulin A-Chain, Insulin B-Chain
著者Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
登録日2016-01-21
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
8SBI
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BU of 8sbi by Molmil
Crystal structure of human sterol 14 alpha-demethylase (CYP51) in the ligand-free state
分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2023-04-03
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural dynamics of sterol 14 alpha demethylases upon catalysis
To Be Published
5HYU
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BU of 5hyu by Molmil
Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M2 protein
分子名称: C4b-binding protein alpha chain, M protein, serotype 2.1
著者Buffalo, C.Z, Bahn-Suh, A.J, Ghosh, P.
登録日2016-02-01
公開日2016-07-20
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.561 Å)
主引用文献Conserved patterns hidden within group A Streptococcus M protein hypervariability recognize human C4b-binding protein.
Nat Microbiol, 1, 2016
5KT1
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BU of 5kt1 by Molmil
The crystal structure of 4-methylthiobenzoate-bound CYP199A4
分子名称: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2016-07-11
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献The crystal structure of 4-methylthiobenzoate-bound CYP199A4
To Be Published
5F8U
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BU of 5f8u by Molmil
Ligand occupancy in crystal structure of beta1-adrenergic receptor previously submitted by Huang et al
分子名称: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor
著者Leslie, A.G.W, Warne, A, Tate, C.G.
登録日2015-12-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Ligand occupancy in crystal structure of Beta1 adrenergic G protein coupled receptor
Nat.Struct.Mol.Biol., 22, 2015
5KJZ
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BU of 5kjz by Molmil
Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W.
登録日2016-06-20
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.347 Å)
主引用文献Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
5F8T
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BU of 5f8t by Molmil
The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
分子名称: CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein light chain, SULFATE ION, ...
著者Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M.
登録日2015-12-09
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
To Be Published
5KZI
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BU of 5kzi by Molmil
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
分子名称: Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
著者Mohr, C.
登録日2016-07-25
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5FEL
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BU of 5fel by Molmil
Hen egg lysozyme at room temperature solved from dataset acquired by oscillation method
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Tsujino, S, Tomizaki, T.
登録日2015-12-17
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ultrasonic acoustic levitation for fast frame rate X-ray protein crystallography at room temperature.
Sci Rep, 6, 2016
7QAB
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BU of 7qab by Molmil
NMR Solution Structure of mussel adhesive protein Pvfp-5b
分子名称: PVFP-5
著者Morando, M.A, Venturella, F, Pastore, A, Alfano, C.
登録日2021-11-16
公開日2022-08-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of recombinant Pvfp-5 beta reveals insights into mussel adhesion.
Commun Biol, 5, 2022
8SDK
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BU of 8sdk by Molmil
The MicroED structure of proteinase K crystallized by suspended drop crystallization
分子名称: CALCIUM ION, Proteinase K, SULFATE ION
著者Gillman, C, Nicolas, W.J, Martynowycz, M.W, Gonen, T.
登録日2023-04-06
公開日2023-05-31
最終更新日2023-07-12
実験手法ELECTRON CRYSTALLOGRAPHY (2.1 Å)
主引用文献Design and implementation of suspended drop crystallization.
Iucrj, 10, 2023
7QAJ
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BU of 7qaj by Molmil
ZK002 with Anti-angiogenic and Anti-inflamamtory Properties
分子名称: SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta
著者Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S.
登録日2021-11-17
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties.
Front Pharmacol, 14, 2023
5L1S
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BU of 5l1s by Molmil
X-ray Structure of F232L mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5L2S
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BU of 5l2s by Molmil
The X-ray co-crystal structure of human CDK6 and Abemaciclib.
分子名称: Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
7QAC
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BU of 7qac by Molmil
The T2 structure of polycrystalline cubic human insulin
分子名称: Insulin A chain, Insulin B chain
著者Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I.
登録日2021-11-16
公開日2023-06-21
最終更新日2024-02-07
実験手法POWDER DIFFRACTION (2.29 Å)
主引用文献The T 2 structure of polycrystalline cubic human insulin.
Acta Crystallogr D Struct Biol, 79, 2023
5KQX
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Protease E35D-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5FM4
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BU of 5fm4 by Molmil
Structure of the C-terminally extended domain My4 of human myomesin (space group P21)
分子名称: MYOMESIN-1
著者Pernigo, S, Steiner, R.A.
登録日2015-10-30
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of Myomesin to Obscurin-Like-1 at the Muscle M-Band Provides a Strategy for Isoform-Specific Mechanical Protection.
Structure, 25, 2017
5L17
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BU of 5l17 by Molmil
The crystal structure of neuraminidase in complex with zanamivir from A/Shanghai/2/2013 (H7N9) influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Yang, H, Stevens, J.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L1W
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X-ray Structure of 2-Mercaptoethanol modified M81C mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016

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