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3CL1
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BU of 3cl1 by Molmil
M. loti cyclic-nucleotide binding domain, cyclic-GMP bound
分子名称: CHLORIDE ION, CYCLIC GUANOSINE MONOPHOSPHATE, Mll3241 protein, ...
著者Clayton, G.M, Alteiri, S.L, Thomas, L.R, Morais-Cabral, J.H.
登録日2008-03-18
公開日2008-08-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Energetic Analysis of Activation by a Cyclic Nucleotide Binding Domain.
J.Mol.Biol., 381, 2008
6HQG
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BU of 6hqg by Molmil
Cytochrome P450-153 from Phenylobacterium zucineum
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fiorentini, F, Mattevi, A.
登録日2018-09-25
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
5DGX
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BU of 5dgx by Molmil
1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA
著者Halavaty, A.S, Minasov, G, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-08-28
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP
To Be Published
5DH3
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BU of 5dh3 by Molmil
Crystal structure of MST2 in complex with XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2015-08-29
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
6U96
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BU of 6u96 by Molmil
Actin phalloidin at BeFx state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Das, S, Ge, P, Durer, Z.A.O, Grintsevich, E.E, Zhou, Z.H, Reisler, E.
登録日2019-09-06
公開日2020-05-13
最終更新日2020-05-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献D-loop Dynamics and Near-Atomic-Resolution Cryo-EM Structure of Phalloidin-Bound F-Actin.
Structure, 28, 2020
8ALK
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BU of 8alk by Molmil
Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1
分子名称: 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V.
登録日2022-08-01
公開日2023-04-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Nat Commun, 14, 2023
5CPP
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BU of 5cpp by Molmil
THE STRUCTURAL BASIS FOR SUBSTRATE-INDUCED CHANGES IN REDOX POTENTIAL AND SPIN EQUILIBRIUM IN CYTOCHROME P-450(CAM)
分子名称: ADAMANTANONE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Raag, R, Poulos, T.L.
登録日1990-05-18
公開日1991-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM.
Biochemistry, 28, 1989
5CYX
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BU of 5cyx by Molmil
Crystal Structure of Mouse Protocadherin-24 EC1-3
分子名称: CALCIUM ION, CHLORIDE ION, Protein Cdhr2
著者Johnson, Z.R, Sotomayor, M.
登録日2015-07-31
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Mouse Protocadherin-24 EC1-3
To Be Published
3CYX
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BU of 3cyx by Molmil
Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira
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, ACETIC ACID, GLYCEROL, ...
著者Liu, F, Weber, I.T.
登録日2008-04-27
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
5D14
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BU of 5d14 by Molmil
The atomic resolution crystal structure of human IL-8
分子名称: Interleukin-8
著者Brzezinski, K, Pompeu, Y, Lu, S, Jakoncic, J, Ostrov, D.A.
登録日2015-08-03
公開日2015-12-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The atomic resolution crystal structure of human IL-8
To Be Published
3CQP
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BU of 3cqp by Molmil
Human SOD1 G85R Variant, Structure I
分子名称: COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ...
著者Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J.
登録日2008-04-03
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
3CR6
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BU of 3cr6 by Molmil
Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid Binding Protein Type II Complexed with C15-aldehyde (a retinal analog) at 1.22 Angstrom resolution.
分子名称: 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene, Cellular retinoic acid-binding protein 2
著者Jia, X, Geiger, J.H.
登録日2008-04-04
公開日2009-03-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Two distinctive orientations of binding determined by a single mutation in the CRABPII mutant-C15-aldehyde complexes
To be Published
6HWU
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BU of 6hwu by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
5D1I
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BU of 5d1i by Molmil
Structure of Cyclic nucleotide-binding-like protein from Brucella abortus bv. 1 str. 9-941
分子名称: Cyclic nucleotide-binding protein
著者He, Z, Dong, J, Li, X, Gao, Y.
登録日2015-08-04
公開日2015-09-09
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of cyclic nucleotide-binding-like protein from Brucella abortus
Biochem.Biophys.Res.Commun., 468, 2015
6HX4
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BU of 6hx4 by Molmil
Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin
分子名称: Alpha-1-antitrypsin, Fab 1D9 heavy chain, Fab 1D9 light chain
著者Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Lomas, D.A, Irving, J.A.
登録日2018-10-15
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin
To Be Published
6HBJ
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BU of 6hbj by Molmil
Echovirus 18 empty particle
分子名称: Viral protein 1, Viral protein 2, Viral protein 3
著者Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P.
登録日2018-08-10
公開日2019-03-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
5D4A
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BU of 5d4a by Molmil
Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid
分子名称: 3-(2-phenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte
著者Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
登録日2015-08-07
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
3CKW
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BU of 3ckw by Molmil
Crystal structure of sterile 20-like kinase 3 (MST3, STK24)
分子名称: MERCURY (II) ION, Serine/threonine-protein kinase 24
著者Antonysamy, S.S, Burley, S.K, Buchanan, S, Chau, F, Feil, I, Wu, L, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-03-17
公開日2008-04-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of sterile 20-like kinase 3 (MST3, STK24).
To be Published
8ATK
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BU of 8atk by Molmil
The SH2 domain of mouse SH2B1
分子名称: SH2B adapter protein 1
著者Fowler, N.J, Williamson, M.P, Albalwi, M.F.
登録日2022-08-23
公開日2023-05-24
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: The SH2 domain of SH2B1.
Structure, 31, 2023
5DBQ
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BU of 5dbq by Molmil
Crystal structure of insect thioredoxin at 1.95 Angstroms
分子名称: Thioredoxin
著者Klinke, S, Tejedor, M.D, Cerutti, M.L, Giacometti, R, Otero, L.H, Goldbaum, F.A, Zavala, J.A, Wolosiuk, R.A, Pagano, E.A.
登録日2015-08-21
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of insect thioredoxin at 1.95 Angstroms
To Be Published
6UNI
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BU of 6uni by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2019-10-11
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
6HAB
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BU of 6hab by Molmil
Crystal structure of BiP V461F (apo)
分子名称: DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP
著者Yan, Y, Ron, D.
登録日2018-08-07
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
3CP5
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BU of 3cp5 by Molmil
Cytochrome c from rhodothermus marinus
分子名称: Cytochrome c, HEME C, SULFATE ION
著者Stelter, M, Melo, A, Saraiva, L, Teixeira, M, Archer, M.
登録日2008-03-31
公開日2008-10-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A novel type of monoheme cytochrome c: biochemical and structural characterization at 1.23 A resolution of rhodothermus marinus cytochrome c
Biochemistry, 47, 2008
6HGF
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BU of 6hgf by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
著者Schmidt, K, Muller, Y.A.
登録日2018-08-23
公開日2019-05-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6ULB
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BU of 6ulb by Molmil
Sex Hormone-binding globulin mutant E176K in complex with Danazol
分子名称: CALCIUM ION, Danazol, Sex hormone-binding globulin
著者Round, P.W, Das, S, Van Petegem, F.
登録日2019-10-07
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical analyses of danazol interactions with sex hormone-binding globulin and effects on androgen action
To Be Published

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件を2024-08-07に公開中

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