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5NRG
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BU of 5nrg by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with RB02
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M.
Deposit date:2017-04-23
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.442 Å)
Cite:Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus.
Nucleic Acids Res., 45, 2017
5LZF
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BU of 5lzf by Molmil
Structure of the 70S ribosome with fMetSec-tRNASec in the hybrid pre-translocation state (H)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
Deposit date:2016-09-29
Release date:2016-11-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
5LUI
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BU of 5lui by Molmil
Structure of cutinase 1 from Thermobifida cellulosilytica
Descriptor: CHLORIDE ION, Cutinase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-08
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5M0X
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BU of 5m0x by Molmil
Structure of apo structure of GH36 alpha-galactosidase from Thermotoga maritima
Descriptor: Alpha-galactosidase, MAGNESIUM ION, SULFATE ION
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5K9Y
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BU of 5k9y by Molmil
Crystal structure of a thermophilic xylanase A from Bacillus subtilis 1A1 quadruple mutant Q7H/G13R/S22P/S179C
Descriptor: Endo-1,4-beta-xylanase A
Authors:Pinheiro, M.P, Ferreira, T.L, Silva, S.R.B, Fuzo, C.A, Silva, S.R, Lourenzoni, M.R, Vieira, D.S, Ward, R.J, Nonato, M.C.
Deposit date:2016-06-01
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The role of local residue environmental changes in thermostable mutants of the GH11 xylanase from Bacillus subtilis.
Int. J. Biol. Macromol., 97, 2017
5KAI
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BU of 5kai by Molmil
NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-06-01
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.80000925 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
5LFU
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BU of 5lfu by Molmil
Myelin-associated glycoprotein (MAG) glycosylated and lysine-methylated full extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Myelin-associated glycoprotein, ...
Authors:Pronker, M.F, Janssen, B.J.C.
Deposit date:2016-07-04
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Structural basis of myelin-associated glycoprotein adhesion and signalling.
Nat Commun, 7, 2016
5KCM
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BU of 5kcm by Molmil
Crystal structure of iron-sulfur cluster containing photolyase PhrB mutant I51W
Descriptor: (6-4) photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Yang, X, Bowatte, K, Zhang, F, Lamparter, T.
Deposit date:2016-06-06
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity.
Photochem. Photobiol., 93, 2017
5KGT
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BU of 5kgt by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone
Descriptor: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Maize, K.M, Divakaran, A, Aldrich, C.C, Finzel, B.C.
Deposit date:2016-06-13
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
5LKU
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BU of 5lku by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A.
Descriptor: COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION
Authors:Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
Deposit date:2016-07-25
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LSU
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BU of 5lsu by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase NSD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LOC
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BU of 5loc by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH)
Descriptor: Meso-diaminopimelate D-dehydrogenase
Authors:Dunstan, M.S, Gahloth, D.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
5KGS
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BU of 5kgs by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
Descriptor: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Maize, K.M, Aldrich, C.C, Finzel, B.C.
Deposit date:2016-06-13
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
5NOJ
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BU of 5noj by Molmil
Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "OPEN" state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E.
Deposit date:2017-04-12
Release date:2017-08-02
Last modified:2017-08-09
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5N6M
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BU of 5n6m by Molmil
Structure of the membrane integral lipoprotein N-acyltransferase Lnt from P. aeruginosa
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CITRATE ANION, ...
Authors:Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2017-02-15
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis.
Nat Commun, 8, 2017
5NDC
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BU of 5ndc by Molmil
Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide IIA, ...
Authors:Andersson, R, Safari, C, Dods, R, Nango, E, Tanaka, R, Nakane, T, Tono, K, Joti, Y, Bath, P, Dunevall, E, Bosman, E, Nureki, O, Iwata, S, Neutze, R, Branden, G.
Deposit date:2017-03-08
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serial femtosecond crystallography structure of cytochrome c oxidase at room temperature.
Sci Rep, 7, 2017
5I75
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BU of 5i75 by Molmil
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site
Descriptor: (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coleman, J.A, Green, E.M, Gouaux, E.
Deposit date:2016-02-16
Release date:2016-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
5I5H
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BU of 5i5h by Molmil
Ecoli global domain 245-586
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5MZE
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BU of 5mze by Molmil
Crystal structure of mouse MTH1 with 8-oxo-dGTP
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ...
Authors:Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
Deposit date:2017-01-31
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZT
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BU of 5mzt by Molmil
X-ray structure of the H235Q mutant of GLIC in complex with bromoform
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Fourati, Z, Delarue, M.
Deposit date:2017-02-01
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:X-ray structure of the H235Q mutant of GLIC in complex with bromoform
To Be Published
5LZD
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BU of 5lzd by Molmil
Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the GTPase activated state (GA)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
Deposit date:2016-09-29
Release date:2016-11-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
5IBE
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BU of 5ibe by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBI
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BU of 5ibi by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IEZ
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BU of 5iez by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
Descriptor: 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2016-02-25
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5JDO
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BU of 5jdo by Molmil
T. congolense haptoglobin-haemoglobin receptor in complex with haemoglobin
Descriptor: Haptoglobin-haemoglobin receptor, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Lane-Serff, H, Higgins, M.K.
Deposit date:2016-04-17
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Evolutionary diversification of the trypanosome haptoglobin-haemoglobin receptor from an ancestral haemoglobin receptor.
Elife, 5, 2016

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