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5DDC
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BU of 5ddc by Molmil
Menin in complex with MI-2-3
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-24
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
6Y37
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BU of 6y37 by Molmil
CCAAT-binding complex from Aspergillus nidulans with cccA DNA
Descriptor: CBFD_NFYB_HMF domain-containing protein, DNA (25-MER), GLYCEROL, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2020-02-17
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of HapE P88L -linked antifungal triazole resistance in Aspergillus fumigatus .
Life Sci Alliance, 3, 2020
5ZF0
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BU of 5zf0 by Molmil
X-ray Structure of the Electron Transfer Complex between Ferredoxin and Photosystem I
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kubota-Kawai, H, Mutoh, R, Shinmura, K, Setif, P, Nowaczyk, M, Roegner, M, Ikegami, T, Tanaka, T, Kurisu, G.
Deposit date:2018-03-01
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:X-ray structure of an asymmetrical trimeric ferredoxin-photosystem I complex
Nat Plants, 4, 2018
4ZCG
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BU of 4zcg by Molmil
Crystal Structure of human GGT1 in complex with Glutamate (with all atoms of glutamate)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:Terzyan, S, Hanigan, M.
Deposit date:2015-04-15
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
2X5L
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BU of 2x5l by Molmil
X-RAY STRUCTURE OF THE SUBSTRATE-FREE MYCOBACTERIUM TUBERCULOSIS CYTOCHROME P450 CYP125, ALTERNATIVE CRYSTAL FORM
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125
Authors:Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M.
Deposit date:2010-02-10
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1.
Bioorg.Med.Chem.Lett., 21, 2011
5ZHT
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BU of 5zht by Molmil
Crystal structure of OsD14 in complex with covalently bound KK073
Descriptor: (1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone, Strigolactone esterase D14
Authors:Hirabayashi, K, Miyakawa, T, Tanokura, M.
Deposit date:2018-03-13
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.532 Å)
Cite:Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019
6YBQ
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BU of 6ybq by Molmil
Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
Authors:Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
Deposit date:2020-03-17
Release date:2020-10-28
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
Descriptor: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Tan, Y, Yang, G.
Deposit date:2018-04-13
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
4JWC
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BU of 4jwc by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(1-16)
Descriptor: Cathelicidin-3, Chaperone protein DnaK, SULFATE ION
Authors:Zahn, M, Straeter, N.
Deposit date:2013-03-27
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7.
Protein Pept.Lett., 21, 2014
5ZHX
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BU of 5zhx by Molmil
Crystal structure of SmgGDS-558 and farnesylated RhoA complex
Descriptor: FARNESYL, Rap1 GTPase-GDP dissociation stimulator 1, Transforming protein RhoA
Authors:Shimizu, H, Toma-Fukai, S, Shimizu, T.
Deposit date:2018-03-13
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:GEF mechanism revealed by the structure of SmgGDS-558 and farnesylated RhoA complex and its implication for a chaperone mechanism.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3DQ3
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BU of 3dq3 by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 2500 Atmospheres: Structure 22 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6YD0
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BU of 6yd0 by Molmil
XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, diferric state
Descriptor: FE (III) ION, GLYCEROL, Methane monooxygenase, ...
Authors:Srinivas, V, Hogbom, M.
Deposit date:2020-03-19
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
J. Am. Chem. Soc., 142, 2020
3DQD
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BU of 3dqd by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 1250 Atmospheres Number 2: Structure 12 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DXS
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BU of 3dxs by Molmil
Crystal structure of a copper binding domain from HMA7, a P-type ATPase
Descriptor: Copper-transporting ATPase RAN1, LITHIUM ION, ZINC ION
Authors:Zimmermann, M, Xiao, Z, Clarke, O.B, Gulbis, J.M, Wedd, A.G.
Deposit date:2008-07-25
Release date:2009-08-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Metal binding affinities of Arabidopsis zinc and copper transporters: selectivities match the relative, but not the absolute, affinities of their amino-terminal domains.
Biochemistry, 48, 2009
2X8C
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BU of 2x8c by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni with the reduced C-terminal end
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN GLUTATHIONE REDUCTASE, ...
Authors:Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
Deposit date:2010-03-08
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
4ZFL
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BU of 4zfl by Molmil
Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate
Descriptor: (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium, Amidohydrolase EgtC, GLYCEROL
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
5ZGC
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BU of 5zgc by Molmil
Crystal Structure of SIRT3 in complex with H4K16bhb peptide
Descriptor: Histone H4K16bhb peptide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
Authors:Li, H, Zhang, X.
Deposit date:2018-03-08
Release date:2019-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of SIRT3 in complex with H4K16bhb peptide
To be published
1M76
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BU of 1m76 by Molmil
Crystal Structure of the S137C Mutant of L-3-HYDROXYACYL-COA Dehydrogenase in Complex with NAD and Acetoacetyl-COA
Descriptor: 3-HYDROXYACYL-COA DEHYDROGENASE, ACETOACETYL-COENZYME A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Barycki, J.J, Banaszak, L.J.
Deposit date:2002-07-18
Release date:2004-02-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the S137C Mutant of L-3-Hydroxyacyl-COA Dehydrogenase in Complex with NAD and Acetoacetyl-COA
To be Published
6XZM
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BU of 6xzm by Molmil
Arabidopsis UV-B photoreceptor UVR8 mutant D96N D107N W285A
Descriptor: DI(HYDROXYETHYL)ETHER, NITRATE ION, TRIETHYLENE GLYCOL, ...
Authors:Lau, K, Hothorn, M.
Deposit date:2020-02-04
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.10009313 Å)
Cite:A constitutively monomeric UVR8 photoreceptor confers enhanced UV-B photomorphogenesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
2XAC
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BU of 2xac by Molmil
Structural Insights into the Binding of VEGF-B by VEGFR-1D2: Recognition and Specificity
Descriptor: GLYCEROL, VASCULAR ENDOTHELIAL GROWTH FACTOR B, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
Authors:Iyer, S, Darley, P, Acharya, K.R.
Deposit date:2010-03-30
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural Insights Into the Binding of Vegf-B by Vegfr-1D2: Recognition and Specificity
J.Biol.Chem., 285, 2010
6XZQ
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BU of 6xzq by Molmil
Influenza C virus polymerase in complex with human ANP32A - Subclass 1
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E.
Deposit date:2020-02-05
Release date:2020-11-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
6Y6L
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BU of 6y6l by Molmil
Structure the ananain protease from Ananas comosus with a thiomethylated catalytic cysteine
Descriptor: Ananain, GLYCEROL, SULFATE ION
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-02-26
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
4GSC
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BU of 4gsc by Molmil
Structure analysis of insulin degrading enzyme with compound bdm41559 ((s)-2-[2-(carboxymethyl-phenethyl-amino)-acetylamino]-3-(1h-imidazol-4-yl)-propionic acid methyl ester)
Descriptor: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate
Authors:Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
Deposit date:2012-08-27
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
6Y0S
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BU of 6y0s by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E
Descriptor: MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
6Y1C
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BU of 6y1c by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021

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數據於2024-09-25公開中

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