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5CN4
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BU of 5cn4 by Molmil
Ultrafast dynamics in myoglobin: -0.1 ps time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
8A2P
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BU of 8a2p by Molmil
Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography
Descriptor: 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
5T5T
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BU of 5t5t by Molmil
AMPK bound to allosteric activator
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F, Kurumbail, R.G.
Deposit date:2016-08-31
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy.
J. Pharmacol. Exp. Ther., 361, 2017
8A2O
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BU of 8a2o by Molmil
Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
8A0S
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BU of 8a0s by Molmil
MTH1 in complex with TH013350
Descriptor: 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Liu, H, Scaletti, E, Stenmark, P.
Deposit date:2022-05-30
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:MTH1 in complex with TH013350
To Be Published
5Y8I
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BU of 5y8i by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (S)-3-hydroxyisobutyrate (S-HIBA)
Descriptor: (2S)-2-methyl-3-oxidanyl-propanoic acid, (2~{S})-2-methylpentanedioic acid, GLYCEROL, ...
Authors:Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
Deposit date:2017-08-21
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
8A3A
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BU of 8a3a by Molmil
MTH1 in complex with TH013074
Descriptor: 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Liu, H, Scaletti, E, Stenmark, P.
Deposit date:2022-06-07
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 in complex with TH013074
To Be Published
8A1U
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BU of 8a1u by Molmil
Sodium pumping NADH-quinone oxidoreductase with substrates NADH and Q2
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
Deposit date:2022-06-02
Release date:2023-09-20
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
1I6Z
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BU of 1i6z by Molmil
BAG DOMAIN OF BAG1 COCHAPERONE
Descriptor: BAG-FAMILY MOLECULAR CHAPERONE REGULATOR-1
Authors:Briknarova, K, Takayama, S, Brive, L, Havert, M.L, Knee, D.A, Velasco, J, Homma, S, Cabezas, E, Stuart, J, Hoyt, D.W, Satterthwait, A.C, Llinas, M, Reed, J.C, Ely, K.R.
Deposit date:2001-03-06
Release date:2001-09-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural analysis of BAG1 cochaperone and its interactions with Hsc70 heat shock protein.
Nat.Struct.Biol., 8, 2001
8D7F
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BU of 8d7f by Molmil
FlvF from Aspergillus flavus in complex with Bis-Tris
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Terpene cyclase flvF
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2022-06-07
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the Repurposed Fungal Terpene Cyclase FlvF Implicated in the C-N Bond-Forming Reaction of Flavunoidine Biosynthesis.
Biochemistry, 61, 2022
5T98
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BU of 5t98 by Molmil
Crystal structure of BuGH2Awt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
3T0M
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BU of 3t0m by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Thiel, P, Ottmann, C.
Deposit date:2011-07-20
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
1I8N
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BU of 1i8n by Molmil
CRYSTAL STRUCTURE OF LEECH ANTI-PLATELET PROTEIN
Descriptor: ANTI-PLATELET PROTEIN, PROPIONAMIDE
Authors:Huizinga, E.G, Schouten, A, Connolly, T.M, Kroon, J, Sixma, J.J, Gros, P.
Deposit date:2001-03-15
Release date:2001-08-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of leech anti-platelet protein, an inhibitor of haemostasis.
Acta Crystallogr.,Sect.D, 57, 2001
8A07
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BU of 8a07 by Molmil
MTH1 in complex with TH001969
Descriptor: 1~{H}-quinazoline-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Scaletti, E.R, Narwal, M, Stenmark, P.
Deposit date:2022-05-26
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:MTH1 in complex with TH001969
To Be Published
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
8RPM
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BU of 8rpm by Molmil
Lysozyme structure based on automated real-time serial crystallography data processing using CrystFEL
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:White, T.A, Oberthuer, D, Henkel, A.
Deposit date:2024-01-16
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Real-time data processing for serial crystallography experiments
To Be Published
8A0T
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BU of 8a0t by Molmil
MTH1 in complex with TH012532
Descriptor: 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
Authors:Scaletti, E, Stenmark, P.
Deposit date:2022-05-30
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MTH1 in complex with TH012532
To Be Published
5Y1I
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BU of 5y1i by Molmil
The crystal structure of GfsF
Descriptor: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2017-07-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Recognition by a Dual-Function P450 Monooxygenase GfsF Involved in FD-891 Biosynthesis
Chembiochem, 18, 2017
3T25
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BU of 3t25 by Molmil
TMAO-grown orthorhombic trypsin (bovine)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Cahn, J, Venkat, M, Marshall, H, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
8A34
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BU of 8a34 by Molmil
MTH1 in complex with TH013071
Descriptor: 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
Authors:Liu, H, Scaletti, E, Stenmark, P.
Deposit date:2022-06-07
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MTH1 in complex with TH013071
To Be Published
5TA9
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BU of 5ta9 by Molmil
Crystal structure of BuGH117Bwt in complex with neoagarobiose
Descriptor: 3,6-anhydro-alpha-L-galactopyranose, Glycoside Hydrolase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
6UUT
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BU of 6uut by Molmil
Crystal structure of a high molecular weight 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii crystal form 2
Descriptor: 3-ketoacyl-ACP reductase
Authors:Cross, E.M, Forwood, J.K.
Deposit date:2019-10-31
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases.
Sci Rep, 11, 2021
5MZ4
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BU of 5mz4 by Molmil
Crystal Structure of full-lengh CSFV NS3/4A
Descriptor: Genome polyprotein,Genome polyprotein
Authors:Tortorici, M.A, Rey, F.A.
Deposit date:2017-01-30
Release date:2017-02-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.048 Å)
Cite:A positive-strand RNA virus uses alternative protein-protein interactions within a viral protease/cofactor complex to switch between RNA replication and virion morphogenesis.
PLoS Pathog., 13, 2017
8B1R
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BU of 8b1r by Molmil
RecBCD in complex with the phage protein gp5.9
Descriptor: MAGNESIUM ION, Probable RecBCD inhibitor gp5.9, RecBCD enzyme subunit RecB, ...
Authors:Wilkinson, M, Wilkinson, O.J, Feyerherm, C, Fletcher, E.E, Wigley, D.B, Dillingham, M.S.
Deposit date:2022-09-12
Release date:2022-12-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of RecBCD in complex with phage-encoded inhibitor proteins reveal distinctive strategies for evasion of a bacterial immunity hub.
Elife, 11, 2022
5SV8
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BU of 5sv8 by Molmil
Crystal Structure of the catalytic nucleophile and surface cysteine mutant of VvEG16 in complex with a xyloglucan oligosaccharide
Descriptor: alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, probable xyloglucan endotransglucosylase/hydrolase protein 19
Authors:McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H.
Deposit date:2016-08-05
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017

223790

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