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5BYL
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BU of 5byl by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPCP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2015-06-10
Release date:2016-05-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
7QI4
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BU of 7qi4 by Molmil
Human mitochondrial ribosome at 2.2 A resolution (bound to partly built tRNAs and mRNA)
Descriptor: 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ...
Authors:Singh, V, Itoh, Y, Amunts, A.
Deposit date:2021-12-14
Release date:2022-07-13
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Mitoribosome structure with cofactors and modifications reveals mechanism of ligand binding and interactions with L1 stalk.
Nat Commun, 15, 2024
4XUE
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BU of 4xue by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b
Descriptor: 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4YOM
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BU of 4yom by Molmil
Structure of SAD kinase
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase BRSK2
Authors:Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W.
Deposit date:2015-03-12
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
8QX5
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BU of 8qx5 by Molmil
Helical Carotenoid Protein 4 (HCP4) from Anabaena with bound Canthaxanthin
Descriptor: Orange carotenoid-binding domain-containing protein, beta,beta-carotene-4,4'-dione
Authors:Sklyar, J, Wilson, A, Kirilovsky, D, Adir, N.
Deposit date:2023-10-22
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into energy quenching mechanisms and carotenoid uptake by orange carotenoid protein homologs: HCP4 and CTDH.
Int.J.Biol.Macromol., 265, 2024
8QX7
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BU of 8qx7 by Molmil
Apo-C-Terminal Domain Homolog of the Orange Carotenoid Protein from Anabaena at a resolution of 1.95 Angstroms
Descriptor: All4940 protein, MALONIC ACID
Authors:Sklyar, J, Wilson, A, Kirilovsky, D, Adir, N.
Deposit date:2023-10-22
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into energy quenching mechanisms and carotenoid uptake by orange carotenoid protein homologs: HCP4 and CTDH.
Int.J.Biol.Macromol., 265, 2024
4ZET
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BU of 4zet by Molmil
Blood dendritic cell antigen 2 (BDCA-2) complexed with GalGlcNAcMan
Descriptor: C-type lectin domain family 4 member C, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose
Authors:Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2015-04-20
Release date:2015-05-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2.
J.Biol.Chem., 290, 2015
5D8O
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BU of 5d8o by Molmil
1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
Descriptor: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5EZV
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BU of 5ezv by Molmil
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
Descriptor: 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2/alpha-1 RIM SWAP chimera, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Langendorf, C.G, Kemp, B.E.
Deposit date:2015-11-26
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
5F49
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BU of 5f49 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with malonyl-coenzyme A
Descriptor: COENZYME A, MAGNESIUM ION, MALONYL-COENZYME A, ...
Authors:Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-03
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
5D8Q
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BU of 5d8q by Molmil
2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa
Descriptor: ARSENIC, Ferroxidase, MAGNESIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5EJR
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BU of 5ejr by Molmil
Structure of Dictyostelium Discoideum Myosin VII MyTH4-FERM MF2 domain
Descriptor: 1,2-ETHANEDIOL, Myosin-I heavy chain
Authors:Planelles-Herrero, V.J, Sirkia, H, Sourigues, Y, Clause, J, Titus, M.A, Houdusse, A.
Deposit date:2015-11-02
Release date:2016-07-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Myosin MyTH4-FERM structures highlight important principles of convergent evolution.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EJY
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BU of 5ejy by Molmil
Structure of Dictyostelium Discoideum Myosin VII MyTH4-FERM MF1 domain
Descriptor: CHLORIDE ION, Myosin-I heavy chain, POLYETHYLENE GLYCOL (N=34)
Authors:Sirigu, S, Titus, M.A, Houdusse, A.
Deposit date:2015-11-02
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Myosin MyTH4-FERM structures highlight important principles of convergent evolution.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EOD
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BU of 5eod by Molmil
Human Plasma Coagulation FXI with peptide LP2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, LP2
Authors:Wong, S.S, Ostergaard, S, Hall, G, Li, C, Williams, P.M, Stennicke, H, Emsley, J.
Deposit date:2015-11-10
Release date:2016-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Blood, 127, 2016
6R1P
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BU of 6r1p by Molmil
EthR ligand complex
Descriptor: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one, HTH-type transcriptional regulator EthR
Authors:Pohl, E, Tatum, N.
Deposit date:2019-03-14
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
6R1S
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BU of 6r1s by Molmil
EthR ligand complex
Descriptor: 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR
Authors:Pohl, E, Tatum, N.
Deposit date:2019-03-14
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
5A1T
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BU of 5a1t by Molmil
Trichomonas vaginalis lactate dehydrogenase in complex with NADH and oxamate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID
Authors:Steindel, P.A, Chen, E.H, Theobald, D.L.
Deposit date:2015-05-05
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
8UFO
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BU of 8ufo by Molmil
Crystal Structure of Gastrointestinal HAstV VA1 capsid spike domain at 1.46 A resolution
Descriptor: Capsid polyprotein VP90
Authors:Ghosh, A, DuBois, R.M.
Deposit date:2023-10-04
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.
Plos Pathog., 20, 2024
3M8O
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BU of 3m8o by Molmil
Human IgA1 Fab fragment
Descriptor: CHLORIDE ION, GLYCEROL, IMMUNOGLOBULIN A1 HEAVY CHAIN, ...
Authors:Buschiazzo, A, Trajtenberg, F, Correa, A, Oppezzo, P, Pritsch, O, Dighiero, G.
Deposit date:2010-03-18
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
5D8Y
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BU of 5d8y by Molmil
2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa
Descriptor: ACETATE ION, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
Deposit date:2015-08-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
8HW1
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BU of 8hw1 by Molmil
Far-red light-harvesting complex of Antarctic alga Prasiola crispa
Descriptor: (1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, CHLOROPHYLL A, ...
Authors:Kosugi, M, Kawasaki, M, Shibata, Y, Moriya, T, Adachi, N, Senda, T.
Deposit date:2022-12-28
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Uphill energy transfer mechanism for photosynthesis in an Antarctic alga.
Nat Commun, 14, 2023
3MN1
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BU of 3mn1 by Molmil
Crystal structure of probable yrbi family phosphatase from pseudomonas syringae pv.phaseolica 1448a
Descriptor: CHLORIDE ION, probable yrbi family phosphatase
Authors:Patskovsky, Y, Ramagopal, U, Toro, R, Freeman, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-04-20
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Biochemistry, 52, 2013
7AA5
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BU of 7aa5 by Molmil
Human TRPV4 structure in presence of 4a-PDD
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein
Authors:Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J.
Deposit date:2020-09-03
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation
To Be Published
5EKY
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BU of 5eky by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant)
Descriptor: 1,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase
Authors:Classen, T, Dick, M, Pietruszka, J, Weiergraeber, O.H.
Deposit date:2015-11-04
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
8UFN
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BU of 8ufn by Molmil
Crystal Structure of neuronal HAstV VA1 capsid spike domain at 2.73 A resolution
Descriptor: Capsid polyprotein VP90
Authors:Ghosh, A, Delgado-Cunningham, K, DuBois, R.M.
Deposit date:2023-10-04
Release date:2024-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure and antigenicity of the divergent human astrovirus VA1 capsid spike.
Plos Pathog., 20, 2024

226262

数据于2024-10-16公开中

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