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4EJL
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BU of 4ejl by Molmil
Apo HIV Protease (PR) dimer in closed form with fragment 1F1-N in the outside/top of flap
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
3OF1
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BU of 3of1 by Molmil
Crystal Structure of Bcy1, the Yeast Regulatory Subunit of PKA
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase regulatory subunit
著者Rinaldi, J, Wu, J, Yang, J, Ralston, C.Y, Sankaran, B, Moreno, S, Taylor, S.S.
登録日2010-08-13
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of Yeast Regulatory Subunit: A Glimpse into the Evolution of PKA Signaling.
Structure, 18, 2010
6FID
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BU of 6fid by Molmil
Bovine trypsin solved by S-SAD on ID30B
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者McCarthy, A.A, Mueller-Dieckmann, C.
登録日2018-01-18
公開日2018-02-07
最終更新日2018-08-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
7FGU
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BU of 7fgu by Molmil
H/D exchanged Hen egg-white lysozyme denatured in basic conditions and refolded in solution
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Kita, A, Morimoto, Y.
登録日2021-07-28
公開日2022-02-09
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Hydrogen/Deuterium Exchange Behavior During Denaturing/Refolding Processes Determined in Tetragonal Hen Egg-White Lysozyme Crystals.
Mol Biotechnol., 64, 2022
3OGJ
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BU of 3ogj by Molmil
Crystal structure of partial apo (92-227) of cGMP-dependent protein kinase
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, PRKG1 protein
著者Kim, J.J, Huang, G, Kwon, T.K, Zwart, P, Headd, J, Kim, C.
登録日2010-08-16
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Plos One, 6, 2011
6FJS
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BU of 6fjs by Molmil
Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data
分子名称: CALCIUM ION, Proteinase K
著者Botha, S, Baitan, D, Jungnickel, K.E.J, Oberthuer, D, Schmidt, C, Stern, S, Wiedorn, M.O, Perbandt, M, Chapman, H.N, Betzel, C.
登録日2018-01-23
公開日2018-10-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novoprotein structure determination by heavy-atom soaking in lipidic cubic phase and SIRAS phasing using serial synchrotron crystallography.
IUCrJ, 5, 2018
3OGB
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BU of 3ogb by Molmil
Sperm whale myoglobin mutant H64W deoxy-form
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Birukou, I, Soman, J, Olson, J.S.
登録日2010-08-16
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
3ODD
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BU of 3odd by Molmil
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Second step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-08-11
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
4BVM
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BU of 4bvm by Molmil
The peripheral membrane protein P2 from human myelin at atomic resolution
分子名称: CITRIC ACID, MYELIN P2 PROTEIN, PALMITIC ACID, ...
著者Ruskamo, S, Yadav, R.P, Kursula, P.
登録日2013-06-26
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Atomic Resolution View Into the Structure-Function Relationships of the Human Myelin Peripheral Membrane Protein P2
Acta Crystallogr.,Sect.D, 70, 2014
4BQL
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BU of 4bql by Molmil
Crystal structure of archaeal actin
分子名称: ACTIN/ACTIN FAMILY PROTEIN, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Lindaas, A.-C, Chruszsz, M, Bernander, R, Valegard, K.
登録日2013-05-31
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Structure of Crenactin, an Archaeal Actin Homologue Active at 90Degc.
Acta Crystallogr.,Sect.D, 70, 2014
3OGP
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BU of 3ogp by Molmil
Crystal Structure of 6s-98S FIV Protease with Darunavir bound
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, DIMETHYL SULFOXIDE, FIV Protease
著者Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D.
登録日2010-08-17
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
4C28
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BU of 4c28 by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Vieira, D.F, Calvet, C.M, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-16
公開日2014-09-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
3OHF
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BU of 3ohf by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Muckelbauer, J.K.
登録日2010-08-17
公開日2011-04-06
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1.
Bioorg.Med.Chem.Lett., 21, 2011
6FFK
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BU of 6ffk by Molmil
Human apo-SOD1 bound to PtCl2(1R,2R-1,4-DACH
分子名称: PtCl2(1(R),2(R)-DACH), Superoxide dismutase [Cu-Zn]
著者Calderone, V, Nativi, C, Cantini, F, Di Cesare Mannelli, L.
登録日2018-01-08
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Interaction of Half Oxa-/Halfcis-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity.
ACS Med Chem Lett, 9, 2018
6FGY
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BU of 6fgy by Molmil
Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4
分子名称: Beta-secretase 1, ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
著者Rondeau, J.-M, Bourgier, E.
登録日2018-01-11
公開日2018-06-06
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of amino-1,4-oxazines as potent BACE-1 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
4BQ9
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BU of 4bq9 by Molmil
Crystal structure of the FN5 and FN6 domains of NEO1, form 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, NEOGENIN
著者Bell, C.H, Healey, E, van Erp, S, Bishop, B, Tang, C, Gilbert, R.J.C, Aricescu, A.R, Pasterkamp, R.J, Siebold, C.
登録日2013-05-30
公開日2013-06-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub
Science, 341, 2013
7F1D
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BU of 7f1d by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
分子名称: Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
著者Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2021-06-09
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
7F6J
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BU of 7f6j by Molmil
Crystal structure of the PDZD8 coiled-coil domain - Rab7 complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PDZ domain-containing protein 8, ...
著者Khan, H, Chen, L, Tan, L, Im, Y.J.
登録日2021-06-25
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of human PDZD8-Rab7 interaction for the ER-late endosome tethering.
Sci Rep, 11, 2021
6FHK
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BU of 6fhk by Molmil
Structure of a modified protein containing a genetically encoded phosphoserine
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ...
著者Mukherjee, M, Bayliss, R.
登録日2018-01-14
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献Mitotic phosphorylation regulates Hsp72 spindle localization by uncoupling ATP binding from substrate release.
Sci Signal, 11, 2018
7F1G
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BU of 7f1g by Molmil
BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
分子名称: Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE
著者Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2021-06-09
公開日2022-02-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
3OK5
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BU of 3ok5 by Molmil
Structure of the H55D mutant of dehaloperoxidase-hemoglobin A from Amphitriti ornata with 4-Bromophenol inhibitor
分子名称: 4-BROMOPHENOL, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhao, J, De Serrano, V.S, Franzen, S.
登録日2010-08-24
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Effect of the H55D mutation on the kinetics and structure of dehaloperoxidase-hemoglobin A
To be Published
6FHL
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BU of 6fhl by Molmil
Cryo-EM structure of F-actin in complex with ADP-Pi
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Merino, F, Pospich, S, Funk, J, Wagner, T, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S.
登録日2018-01-15
公開日2018-06-13
最終更新日2018-08-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
6FK0
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BU of 6fk0 by Molmil
Xray structure of domain-swapped cystatin E dimer
分子名称: Cystatin-M
著者Dall, E, Brandstetter, H.
登録日2018-01-23
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional analysis of cystatin E reveals enzymologically relevant dimer and amyloid fibril states.
J. Biol. Chem., 293, 2018
6FF5
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BU of 6ff5 by Molmil
X-ray structure of bovine heart cytochrome c at high ionic strength
分子名称: Cytochrome c, HEME C, NITRATE ION, ...
著者Merlino, A.
登録日2018-01-03
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献X-ray structure of bovine heart cytochrome c at high ionic strength.
Biometals, 31, 2018
3OK0
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BU of 3ok0 by Molmil
E35A Mutant of Hen Egg White Lysozyme (HEWL)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E.
登録日2010-08-24
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献E35A Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED

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