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8IKD
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BU of 8ikd by Molmil
Structure of DNA binding domain of McrBC endonuclease bound to DNA: Y41F-L68Y double mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3'), ...
Authors:Adhav, V.A, Saikrishnan, K.
Deposit date:2023-02-28
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of target recognition by the DNA binding domain of McrBC
To Be Published
8FIF
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BU of 8fif by Molmil
A2.3 Nanobody In Complex With Microcystin-LR
Descriptor: Microcystin-LR, Single Domain Camelid Nanobody VHH A2.3
Authors:Arenas, R, Tabares-da Rosa, S, Gonzalez-Sapienza, G, Wilson, D.K.
Deposit date:2022-12-16
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A2.3 Nanobody In Complex With Microcystin-LR
To Be Published
8FHB
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BU of 8fhb by Molmil
Protein 32 with aldehyde deformylating oxidase activity from Synechococcus sp.
Descriptor: FE (III) ION, tRNA-(MS[2]IO[6]A)-hydroxylase
Authors:Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Protein 32 with aldehyde deformylating oxidase activity from Synechococcus sp.
To Be Published
8FH8
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BU of 8fh8 by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003 Soaked In Hydrogen Peroxide
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B1, HYDROGEN PEROXIDE, ...
Authors:Arenas, R, Wilson, D.K.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And AT-003 Soaked In Hydrogen Peroxide
To Be Published
5LJ8
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BU of 5lj8 by Molmil
Structure of the E. coli MacB periplasmic domain (P21)
Descriptor: Macrolide export ATP-binding/permease protein MacB
Authors:Crow, A.
Deposit date:2016-07-18
Release date:2017-11-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8FOR
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BU of 8for by Molmil
Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase KE70-core
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
To Be Published
8IJ7
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BU of 8ij7 by Molmil
Crystal structure of alcohol dehydrogenase from Burkholderia gladioli
Descriptor: Putative short-chain dehydrogenases/reductase family protein
Authors:Han, X, Mei, Z.L, Liu, W.D, Sun, Z.T, Ma, J.A.
Deposit date:2023-02-26
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of alcohol dehydrogenase from Burkholderia gladioli
To Be Published
6WT9
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BU of 6wt9 by Molmil
Structure of STING-associated CdnE c-di-GMP synthase from Capnocytophaga granulosa
Descriptor: NTP_transf_2 domain-containing protein
Authors:Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J.
Deposit date:2020-05-01
Release date:2020-09-09
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
5LJX
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BU of 5ljx by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 600 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
8FMC
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BU of 8fmc by Molmil
Crystal Structure of Kemp Eliminase 1A53-core in unbound state
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Kemp Eliminase 1A53-core, PHOSPHATE ION
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core in unbound state
To Be Published
8FMD
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BU of 8fmd by Molmil
Crystal Structure of Kemp Eliminase KE70-core in unbound state
Descriptor: Kemp Eliminase KE70-core
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Kemp Eliminase KE70-core in unbound state
To Be Published
8FOQ
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BU of 8foq by Molmil
Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue
Descriptor: 5-nitro-1H-benzotriazole, Kemp Eliminase 1A53-core, PHOSPHATE ION
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue
To Be Published
8IL9
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BU of 8il9 by Molmil
Crystal structure of the LOV1 Q122N mutant of Klebsormidium nitens phototropin
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin
Authors:Gautam, A.K, Sharma, S, Gourinath, S, Kateriya, S.
Deposit date:2023-03-03
Release date:2024-03-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Unusual photodynamic characteristics of the light-oxygen-voltage domain of phototropin linked to terrestrial adaptation of Klebsormidium nitens.
Febs J., 2024
8FME
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BU of 8fme by Molmil
Crystal Structure of Kemp Eliminase HG3-shell in unbound state
Descriptor: Kemp Eliminase HG3-shell
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core in unbound state
To Be Published
8FOS
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BU of 8fos by Molmil
Crystal Structure of Kemp Eliminase HG3-shell with bound transition state analogue
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3-shell, TETRAETHYLENE GLYCOL
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of Kemp Eliminase HG3-shell with bound transition state analogue
To Be Published
5LQD
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BU of 5lqd by Molmil
Trehalose-6-phosphate synthase, GDP-glucose-dependent OtsA
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase
Authors:Miah, F, Asencion Diez, M.D, Stevenson, C.E.M, Lawson, D.M, Iglesias, A.A, Bornemann, S.
Deposit date:2016-08-16
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Production and Utilization of GDP-glucose in the Biosynthesis of Trehalose 6-Phosphate by Streptomyces venezuelae.
J. Biol. Chem., 292, 2017
6WGK
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BU of 6wgk by Molmil
Fab portion of dupilumab with Crystal Kappa design and intrachain disulfide
Descriptor: Dupilumab Fab heavy chain, Dupilumab Fab light chain
Authors:Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J.
Deposit date:2020-04-05
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
5LGJ
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BU of 5lgj by Molmil
THE CRYSTAL STRUCTURE OF IGE FC MUTANT - P333C
Descriptor: GLYCEROL, Ig epsilon chain C region, SULFATE ION, ...
Authors:Dhaliwal, B, Pang, M.O.Y, Sutton, B.J.
Deposit date:2016-07-07
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:THE CRYSTAL STRUCTURE OF IGE FC MUTANT - P333C
To Be Published
8ILU
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BU of 8ilu by Molmil
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
Descriptor: (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, SODIUM ION, ...
Authors:Kumar, A, Jinal, S, Raman, S, Ghosh, K.
Deposit date:2023-03-04
Release date:2024-03-06
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of benzothiazole derived monosaccharides as potent, selective, and orally bioavailable inhibitors of human and mouse galectin-3; a rare example of using a S···O binding interaction for drug design.
Bioorg.Med.Chem., 101, 2024
5LGW
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BU of 5lgw by Molmil
GlgE isoform 1 from Streptomyces coelicolor D394A mutant co-crystallised with maltodextrin
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ...
Authors:Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S.
Deposit date:2016-07-08
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
5LHY
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BU of 5lhy by Molmil
PB3 Domain of Human PLK4 (apo)
Descriptor: Serine/threonine-protein kinase PLK4
Authors:Cottee, M.A, Johnson, S, Lea, S.M.
Deposit date:2016-07-13
Release date:2017-03-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies.
Biol Open, 6, 2017
5LFJ
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BU of 5lfj by Molmil
Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis
Descriptor: Bacterial proteasome activator
Authors:Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
Deposit date:2016-07-01
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016
4ZIO
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BU of 4zio by Molmil
Irradiated state of mCherry143azF
Descriptor: SULFATE ION, mCherry
Authors:Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D.
Deposit date:2015-04-28
Release date:2015-09-16
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein
Rsc Adv, 5, 2015
6X5J
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BU of 6x5j by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6WGV
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BU of 6wgv by Molmil
Mycobacterium tuberculosis pduO-type ATP:cobalamin adenosyltransferase bound to adenosylcobalamin and PPPi
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ...
Authors:Mascarenhas, R.N, Ruetz, M, Koutmos, M, Banerjee, R.
Deposit date:2020-04-06
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 .
Proc.Natl.Acad.Sci.USA, 117, 2020

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