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4WQR
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BU of 4wqr by Molmil
Complex of 70S ribosome with tRNA-Phe and mRNA with C-A mismatch in the first position in the A-site.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2014-10-22
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
6IGQ
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BU of 6igq by Molmil
Crystal structure of inactive state of S9 peptidase from Deinococcus radiodurans R1 (PMSF treated)
Descriptor: Acyl-peptide hydrolase, putative, GLYCEROL, ...
Authors:Yadav, P, Goyal, V.D, Kumar, A, Makde, R.D.
Deposit date:2018-09-25
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
4X3F
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BU of 4x3f by Molmil
Crystal structure of the intracellular domain of the M. tuberculosis Ser/Thr kinase PknA
Descriptor: Serine/threonine-protein kinase PknA
Authors:Wagner, T, Wehenkel, A, Alzari, P.M, Bellinzoni, M.
Deposit date:2014-11-28
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of the catalytic domain of the ser/thr kinase PknA from M. tuberculosis shows an Src-like autoinhibited conformation.
Proteins, 83, 2015
6IP7
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BU of 6ip7 by Molmil
Structure of human telomeric DNA with 5-Selenophene-modified deoxyuridine at residue 11
Descriptor: DNA (22-MER), POTASSIUM ION
Authors:Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
Deposit date:2018-11-02
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
6D0A
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BU of 6d0a by Molmil
Crystal structure of Kynurenine Aminotransferase-II in apo-form, at 1.47 A resolution
Descriptor: Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
Authors:Jayawickrama, G.S, Sun, G, Nematollahi, A, Church, W.B.
Deposit date:2018-04-10
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.46809423 Å)
Cite:Crystal structure of Kynurenine Aminotransferase-II in apo-form
To Be Published
6D0P
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BU of 6d0p by Molmil
1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Kiryukhina, O, Endres, M, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-10
Release date:2018-04-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii
To be Published
3SK0
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BU of 3sk0 by Molmil
structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant DhaA12
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Lahoda, M, Stsiapanava, A, Mesters, J, Koudelakova, T, Damborsky, J, Kuta-Smatanova, I.
Deposit date:2011-06-22
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dynamics and hydration explain failed functional transformation in dehalogenase design.
Nat.Chem.Biol., 10, 2014
6I8O
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BU of 6i8o by Molmil
Dye type peroxidase Aa from Streptomyces lividans: 39.2kGy structure
Descriptor: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L.
Deposit date:2018-11-20
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
4WXK
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BU of 4wxk by Molmil
Crystal structure of a peptide deformylase from Haemophilus influenzae
Descriptor: GLYCEROL, NICKEL (II) ION, Peptide deformylase
Authors:Kishor, C, Addlagatta, A.
Deposit date:2014-11-14
Release date:2015-11-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a peptide deformylase from Haemophilus influenzae
To Be Published
4X1U
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BU of 4x1u by Molmil
The structure of AhpE from Mycobacterium tuberculosis revisited
Descriptor: GLYCEROL, Putative peroxiredoxin MT2298
Authors:Pallo, A, Messens, J.
Deposit date:2014-11-25
Release date:2016-07-27
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Revisiting sulfur H-bonds in proteins: The example of peroxiredoxin AhpE.
Sci Rep, 6, 2016
1UCG
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BU of 1ucg by Molmil
Crystal structure of Ribonuclease MC1 N71T mutant
Descriptor: MANGANESE (II) ION, Ribonuclease MC
Authors:Suzuki, A, Numata, T, Yao, M, Tanaka, I, Kimura, M.
Deposit date:2003-04-14
Release date:2003-04-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of the ribonuclease MC1 mutants N71T and N71S in complex with 5'-GMP: structural basis for alterations in substrate specificity
Biochemistry, 42, 2003
4X8K
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BU of 4x8k by Molmil
Mycobacterium tuberculosis RbpA-SID in complex with SigmaA domain 2
Descriptor: 1,2-ETHANEDIOL, RNA polymerase sigma factor SigA, RNA polymerase-binding protein RbpA, ...
Authors:Hubin, E.A, Flack, J.E, Tabib-Salazar, A, Paget, M.S, Darst, S.A, Campbell, E.A.
Deposit date:2014-12-10
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural, functional, and genetic analyses of the actinobacterial transcription factor RbpA.
Proc.Natl.Acad.Sci.USA, 112, 2015
6D0N
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BU of 6d0n by Molmil
Crystal structure of a CLC-type fluoride/proton antiporter, V319G mutant
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C.
Deposit date:2018-04-10
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
4X8P
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BU of 4x8p by Molmil
Crystal structure of Ash2L SPRY domain in complex with RbBP5
Descriptor: GLYCEROL, Retinoblastoma-binding protein 5, Set1/Ash2 histone methyltransferase complex subunit ASH2,Set1/Ash2 histone methyltransferase complex subunit ASH2
Authors:Zhang, P, Chaturvedi, C.P, Brunzelle, J.S, Skiniotis, G, Brand, M, Shilatifard, A, Couture, J.-F.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A phosphorylation switch on RbBP5 regulates histone H3 Lys4 methylation.
Genes Dev., 29, 2015
4X8T
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BU of 4x8t by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 7-chloro-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: 7-chloro-3,4-dihydroisoquinolin-1(2H)-one, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
6D1L
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BU of 6d1l by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
Descriptor: 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
Deposit date:2018-04-12
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018
4WZD
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BU of 4wzd by Molmil
Complex of 70S ribosome with cognate tRNA-Tyr in the P-site
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2014-11-19
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
6IOK
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BU of 6iok by Molmil
Cryo-EM structure of multidrug efflux pump MexAB-OprM (0 degree state)
Descriptor: Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM
Authors:Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E.
Deposit date:2018-10-30
Release date:2019-04-03
Last modified:2019-04-17
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism.
Nat Commun, 10, 2019
4X5K
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BU of 4x5k by Molmil
Human NAA50 complex with coenzyme A and an acetylated peptide
Descriptor: ACE-MMAS, COENZYME A, N-alpha-acetyltransferase 50
Authors:Reddi, R, Addlagatta, A.
Deposit date:2014-12-05
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Human NAA50 with coenzymeA and a peptide
To Be Published
2WHP
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BU of 2whp by Molmil
Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ...
Authors:Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P.
Deposit date:2009-05-06
Release date:2009-06-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
6CJJ
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BU of 6cjj by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ...
Authors:Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
Deposit date:2018-02-26
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJN
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BU of 6cjn by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95T mutation
Descriptor: Chalcone--flavonone isomerase 1, SULFATE ION
Authors:Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
Deposit date:2018-02-26
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
4N7Y
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BU of 4n7y by Molmil
Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-16
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
6IUE
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BU of 6iue by Molmil
DNA helical wire containing Hg(II)
Descriptor: DNA (5'-D(*TP*TP*TP*GP*C)-3'), MERCURY (II) ION
Authors:Ono, A, Kanazawa, H, Ito, H, Goto, M, Nakamura, K, Saneyoshi, H, Kondo, J.
Deposit date:2018-11-28
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A Novel DNA Helical Wire Containing HgII-Mediated T:T and T:G Pairs.
Angew.Chem.Int.Ed.Engl., 58, 2019
4X8B
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BU of 4x8b by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015

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数据于2024-07-17公开中

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