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5M7L
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BU of 5m7l by Molmil
Blastochloris viridis photosynthetic reaction center synchrotron structure
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
Deposit date:2016-10-28
Release date:2017-02-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
6QU9
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BU of 6qu9 by Molmil
Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin
Descriptor: FAB 4B12 heavy chain, FAB 4B12 light chain, GLYCEROL, ...
Authors:Jagger, A.M, Heyer-Chauhan, N, Lomas, D.A, Irving, J.A.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis for Z alpha 1 -antitrypsin polymerization in the liver.
Sci Adv, 6, 2020
5MAI
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BU of 5mai by Molmil
Crystal structure of MELK in complex with an inhibitor
Descriptor: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase
Authors:Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
6UO1
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BU of 6uo1 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA (containing pseudouridine at the first position of the codon) and deacylated A-, P-, and E-site tRNAs at 2.95A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Batool, Z, Dobosz-Bartoszek, M, Polikanov, Y.S.
Deposit date:2019-10-14
Release date:2019-11-27
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Pseudouridinylation of mRNA coding sequences alters translation.
Proc.Natl.Acad.Sci.USA, 116, 2019
4NH2
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BU of 4nh2 by Molmil
Crystal structure of AmtB from E. coli bound to phosphatidylglycerol
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Ammonia channel
Authors:Laganowsky, A, Reading, E, Allison, T.M, Robinson, C.V.
Deposit date:2013-11-04
Release date:2014-06-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Membrane proteins bind lipids selectively to modulate their structure and function.
Nature, 510, 2014
3BGR
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BU of 3bgr by Molmil
Crystal structure of K103N/Y181C mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (Rilpivirine), a non-nucleoside RT inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ...
Authors:Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
Deposit date:2007-11-27
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
Descriptor: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
1SFE
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BU of 1sfe by Molmil
ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE FROM ESCHERICHIA COLI
Descriptor: ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE
Authors:Moore, M.H, Gulbis, J.M, Dodson, E.J, Demple, B, Moody, P.C.E.
Deposit date:1996-06-21
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a suicidal DNA repair protein: the Ada O6-methylguanine-DNA methyltransferase from E. coli.
EMBO J., 13, 1994
4DVG
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BU of 4dvg by Molmil
Crystal structure of E. histolytica Formin1 bound to EhRho1-GTPgammaS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Diaphanous protein, MAGNESIUM ION, ...
Authors:Bosch, D.E, Siderovski, D.P.
Deposit date:2012-02-23
Release date:2012-11-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Entamoeba histolytica Rho1 Regulates Actin Polymerization through a Divergent, Diaphanous-Related Formin.
Biochemistry, 51, 2012
3BRQ
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BU of 3brq by Molmil
Crystal structure of the Escherichia coli transcriptional repressor ascG
Descriptor: HTH-type transcriptional regulator ascG, SODIUM ION, SULFATE ION, ...
Authors:Singer, A.U, Kagan, O, Evdokimova, E, Osipiuk, J, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-12-21
Release date:2008-01-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the E. coli transcriptional repressor ascG.
To be Published
2ZD1
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BU of 2zd1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ...
Authors:Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
Deposit date:2007-11-16
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3ZG4
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BU of 3zg4 by Molmil
NMR structure of the catalytic domain from E. faecium L,D- transpeptidase
Descriptor: ERFK/YBIS/YCFS/YNHG
Authors:Lecoq, L, Dubee, V, Triboulet, S, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P.
Deposit date:2012-12-14
Release date:2013-04-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism.
Acs Chem.Biol., 8, 2013
2GBH
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BU of 2gbh by Molmil
NMR structure of stem region of helix-35 of 23S E.coli ribosomal RNA (residues 736-760)
Descriptor: 5'-R(*(GMP)P*GP*GP*CP*UP*AP*AP*UP*GP*(PSU)P*UP*GP*AP*AP*AP*AP*AP*UP*UP*AP*GP*CP*CP*C)-3'
Authors:Bax, A, Boisbouvier, J, Bryce, D, Grishaev, A, Jaroniec, C, Miclet, E, Nikonovicz, E, O'Neil-Cabello, E, Ying, J.
Deposit date:2006-03-10
Release date:2006-04-11
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Measurement of five dipolar couplings from a single 3D NMR multiplet applied to the study of RNA dynamics.
J.Am.Chem.Soc., 126, 2004
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
Descriptor: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
Authors:Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
Deposit date:2016-11-20
Release date:2017-02-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
1PS6
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BU of 1ps6 by Molmil
Crystal structure of E.coli PdxA
Descriptor: 4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE, 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION
Authors:Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M.
Deposit date:2003-06-20
Release date:2003-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
J.Biol.Chem., 278, 2003
5M7J
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BU of 5m7j by Molmil
Blastochloris viridis photosynthetic reaction center structure using best crystal approach
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
Authors:Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
Deposit date:2016-10-28
Release date:2017-02-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
3ZJV
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BU of 3zjv by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation
Descriptor: LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
1PS7
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BU of 1ps7 by Molmil
Crystal structure of E.coli PdxA
Descriptor: 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION
Authors:Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M.
Deposit date:2003-06-20
Release date:2003-11-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
J.Biol.Chem., 278, 2003
3ULP
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BU of 3ulp by Molmil
Plasmodium falciparum SSB complex with ssDNA
Descriptor: DNA (35-MER), Single-strand binding protein
Authors:Antony, E, Lohman, T.M, Korolev, S.
Deposit date:2011-11-11
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plasmodium falciparum SSB Tetramer Wraps Single-Stranded DNA with Similar Topology but Opposite Polarity to E. coli SSB.
J.Mol.Biol., 420, 2012
6O66
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BU of 6o66 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-05
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
4K2M
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BU of 4k2m by Molmil
Crystal structure of ntda from bacillus subtilis in complex with the plp external aldimine adduct with kanosamine-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose, ACETATE ION, ...
Authors:Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2013-04-09
Release date:2013-10-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The Structure of NtdA, a Sugar Aminotransferase Involved in the Kanosamine Biosynthetic Pathway in Bacillus subtilis, Reveals a New Subclass of Aminotransferases.
J.Biol.Chem., 288, 2013
1SU1
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BU of 1su1 by Molmil
Structural and biochemical characterization of Yfce, a phosphoesterase from E. coli
Descriptor: Hypothetical protein yfcE, SULFATE ION, ZINC ION
Authors:Miller, D.J, Shuvalova, L, Evdokimova, E, Savchenko, A, Yakunin, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-03-25
Release date:2004-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and biochemical characterization of a novel Mn2+-dependent phosphodiesterase encoded by the yfcE gene.
Protein Sci., 16, 2007
9ARE
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BU of 9are by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glycine, glutamate, and EU-1622-A, in open-channel conformation
Descriptor: GLUTAMIC ACID, GLYCINE, Glutamate receptor ionotropic, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-02-23
Release date:2024-07-31
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Molecular mechanism of ligand gating and opening of NMDA receptor.
Nature, 632, 2024
9ARI
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BU of 9ari by Molmil
Rat GluN1-GluN2B NMDA receptor channel in complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor ionotropic, NMDA 2B, ...
Authors:Chou, T.-H, Furukawa, H.
Deposit date:2024-02-23
Release date:2024-07-31
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular mechanism of ligand gating and opening of NMDA receptor.
Nature, 632, 2024
7KQ9
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BU of 7kq9 by Molmil
The aminoacrylate form of the beta-Q114A mutant Tryptophan Synthase at 1.50 Angstrom resolution with cesium ion at the metal coordination site
Descriptor: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BROMIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-11-13
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The aminoacrylate form of the beta-Q114A mutant Tryptophan Synthase at 1.50 Angstrom resolution with cesium ion at the metal coordination site
To be Published

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