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7BMP
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BU of 7bmp by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer and cryo protectant).
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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
5VCU
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BU of 5vcu by Molmil
Crystal structure of ras-related c3 botulinum toxin substrate 1 isoform x2 from Naegleria fowleri in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related c3 botulinum toxin substrate 1 isoform x2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-03-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of ras-related c3 botulinum toxin substrate 1 isoform x2 from Naegleria fowleri in complex with GDP
to be published
5VD1
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BU of 5vd1 by Molmil
CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH PHA-848125
分子名称: DI(HYDROXYETHYL)ETHER, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
7BMR
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BU of 7bmr by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer and 1.71 M CsCl in cryo protectant)
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
7BMQ
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BU of 7bmq by Molmil
HEWL in cesium chloride (1.71 M CsCl in cryo protectant)
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
7BMT
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BU of 7bmt by Molmil
HEWL in sodium chloride
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
著者Koelmel, W, Kuper, J, Kisker, C.
登録日2021-01-20
公開日2021-10-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
5VEF
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BU of 5vef by Molmil
PAK4 kinase domain in complex with fasudil
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, ACETATE ION, Serine/threonine-protein kinase PAK 4
著者Zhang, E.Y, Ha, B.H, Boggon, T.J.
登録日2017-04-04
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献PAK4 crystal structures suggest unusual kinase conformational movements.
Biochim. Biophys. Acta, 1866, 2018
7BB1
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BU of 7bb1 by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glutamic acid 2:1
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Belviso, B.D, Caliandro, R, Carrozzini, B.
登録日2020-12-16
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
4PDP
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BU of 4pdp by Molmil
Crystal structure of Rad53 kinase domain and SCD2
分子名称: Serine/threonine-protein kinase RAD53
著者Wybenga-Groot, L.E, Ho, C.S, Ceccarelli, D.F, Sicheri, F.
登録日2014-04-19
公開日2014-05-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.591 Å)
主引用文献Structural basis of Rad53 kinase activation by dimerization and activation segment exchange.
Cell Signal., 26, 2014
7B9J
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BU of 7b9j by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Urea 1:2
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Belviso, B.D, Caliandro, R, Carrozzini, B.
登録日2020-12-14
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
8GLY
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BU of 8gly by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid
分子名称: CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-23
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
6JB8
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BU of 6jb8 by Molmil
Crystal structure of nanobody D3-L11 in complex with hen egg-white lysozyme
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K.
登録日2019-01-25
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
7BAZ
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BU of 7baz by Molmil
Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 1:2
分子名称: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
著者Belviso, B.D, Caliandro, R, Carrozzini, B.
登録日2020-12-16
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
7TUY
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BU of 7tuy by Molmil
Cryo-EM structure of GSK682753A-bound EBI2/GPR183
分子名称: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, G-protein coupled receptor 183,Soluble cytochrome b562 fusion, anti-BRIL Fab Heavy chain, ...
著者Chen, H, Huang, W, Li, X.
登録日2022-02-03
公開日2022-04-13
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response.
Structure, 30, 2022
7BBT
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BU of 7bbt by Molmil
Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane
分子名称: 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate, Cytochrome c iso-1, HEME C, ...
著者Mockler, N.M, Ramberg, K, Guagnini, F, Raston, C.L, Crowley, P.B.
登録日2020-12-18
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.023 Å)
主引用文献Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties.
Cryst.Growth Des., 21, 2021
5VIO
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BU of 5vio by Molmil
Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13)
分子名称: 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Jasti, J, Chang, J, Kurumbail, R.
登録日2017-04-17
公開日2018-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
6B0S
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BU of 6b0s by Molmil
Crystal structure of circumsporozoite protein aTSR domain in complex with 1710 antibody
分子名称: 1710 antibody, heavy chain, light chain, ...
著者Scally, S.W, Murugan, R, Bosch, A, Triller, G, Wardemann, H, Julien, J.P.
登録日2017-09-15
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection.
J. Exp. Med., 215, 2018
4PFO
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BU of 4pfo by Molmil
Myosin VI motor domain in the Pi release state, space group P212121
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A.
登録日2014-04-30
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
5VNU
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BU of 5vnu by Molmil
Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb
分子名称: MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y.
登録日2017-05-01
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism.
J. Am. Chem. Soc., 139, 2017
6IYH
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BU of 6iyh by Molmil
X-ray sequence and high resolution crystal structure of Persian sturgeon methemoglobin
分子名称: Alpha chain, Beta chain, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Seyedarabi, A.
登録日2018-12-16
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel X-ray sequences and crystal structures of Persian and Starry sturgeon methemoglobins: Highlighting the role of heme pocket waters in causing autoxidation
Biochim Biophys Acta Proteins Proteom, 1867, 2019
8GM1
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BU of 8gm1 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide
分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-24
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
6B2Q
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BU of 6b2q by Molmil
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
分子名称: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA
著者Zuccola, H.J.
登録日2017-09-20
公開日2018-02-14
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
4PPO
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BU of 4ppo by Molmil
First Crystal Structure for an Oxaliplatin-Protein Complex
分子名称: 1,2-ETHANEDIOL, CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Lysozyme C, ...
著者Messori, L, Merlino, A.
登録日2014-02-27
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The X-ray structure of the complex formed in the reaction between oxaliplatin and lysozyme.
Chem.Commun.(Camb.), 50, 2014
6B3F
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BU of 6b3f by Molmil
Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
分子名称: CHLORIDE ION, HIV-1 Protease, N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
著者Su, H.P.
登録日2017-09-21
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ACS Med Chem Lett, 8, 2017

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件を2024-08-07に公開中

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