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5OLX
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BU of 5olx by Molmil
5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, orthorhomic crystal form
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Bowler, M.W, von Velsen, J.
Deposit date:2017-07-28
Release date:2017-11-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5OJ7
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BU of 5oj7 by Molmil
Sirtuin 4 orthologue from Xenopus Tropicalis in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NAD-dependent protein deacylase, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-07-20
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5OK1
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BU of 5ok1 by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis trapped with native beta-glucose 1,6-bisphosphate intermediate to 1.9A resolution.
Descriptor: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Robertson, A.J, Bisson, C.
Deposit date:2017-07-25
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5XGF
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BU of 5xgf by Molmil
The fatty acid-responsive FadR repressor of Vibrio alginolyticus
Descriptor: Fatty acid metabolism regulator protein, NICKEL (II) ION
Authors:Lin, Y, Li, D.F, Feng, Y.J.
Deposit date:2017-04-13
Release date:2017-05-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Snapshort of Vibrio FadR-ligand complex structure reveals a new mechanism for bacterial fatty acid sensing
To Be Published
5OLS
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BU of 5ols by Molmil
Rhamnogalacturonan lyase
Descriptor: 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-2)-alpha-L-rhamnopyranose-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, Rhamnogalacturonan lyase, ...
Authors:Basle, A, Luis, A.S, Gilbert, H.J.
Deposit date:2017-07-28
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
5XDP
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BU of 5xdp by Molmil
K11/48-branched teraubiquitin
Descriptor: D-ubiquitin, ubiquitin-B
Authors:Liang, L, Gao, S, Tang, S.
Deposit date:2017-03-28
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.376 Å)
Cite:K11/48-branched teraubiquitin
To Be Published
5XPJ
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BU of 5xpj by Molmil
Crystal Structure of Periplasmic glucose binding protein ppGBP deletion mutant- Del-ppGBP
Descriptor: Binding protein component of ABC sugar transporter
Authors:Pandey, S, Phale, P.S, Bhaumik, P.
Deposit date:2017-06-02
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural modulation of a periplasmic sugar-binding protein probes into its evolutionary ancestry.
J. Struct. Biol., 204, 2018
3WFW
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BU of 3wfw by Molmil
Crystal Structure of the Closed Form of the HGbRL's Globin Domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Hemoglobin-like flavoprotein fused to Roadblock/LC7 domain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Teh, A.H.
Deposit date:2013-07-24
Release date:2014-08-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Open and Lys-His Hexacoordinated Closed Structures of a Globin with Swapped Proximal and Distal Sites.
Sci Rep, 5, 2015
3WNR
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BU of 3wnr by Molmil
Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Descriptor: CHLORIDE ION, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A.
Deposit date:2013-12-16
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
5XCN
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BU of 5xcn by Molmil
Crystal structure of M120A mutant of O-acetyl-L-serine sulfahydrylase from Haemophilus influenzae
Descriptor: Cysteine synthase
Authors:Abhishek, K, Kumaran, S.
Deposit date:2017-03-23
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Mechanism of Selective Substrate Engagement and Inhibitor Dis-engagement of Cysteine Synthase.
J.Biol.Chem., 2020
5XRF
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BU of 5xrf by Molmil
Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus
Descriptor: DI(HYDROXYETHYL)ETHER, Snake venom serine protease Da-36, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, C.-C, Wu, W.-G, Fan, Q, Tian, J, Zhang, Z, Zheng, Y.
Deposit date:2017-06-08
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Da-36, a thrombin-like enzyme from Deinagkistrodon acutus
To Be Published
4EHW
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BU of 4ehw by Molmil
Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase
Authors:Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
Deposit date:2012-04-04
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
5X3M
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BU of 5x3m by Molmil
crystal structure of p-Ub-S65-NH2
Descriptor: D-ubiquitin, Polyubiquitin-B
Authors:Man, P, Shuai, G, Qian, Q, Lei, L.
Deposit date:2017-02-06
Release date:2017-04-05
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (1.818 Å)
Cite:Structure of p-Ub-S65-NH2 at 1.82 Angstroms resolution
To Be Published
5XAO
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BU of 5xao by Molmil
Crystal structure of Phaeospaeria nodrum fructosyl peptide oxidase mutant Asn56Ala in complexes with sodium and chloride ions
Descriptor: ACETIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yoshida, H, Kamitori, S, Sode, K.
Deposit date:2017-03-14
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structures of fructosyl peptide oxidases revealing residues responsible for gating oxygen access in the oxidative half reaction
Sci Rep, 7, 2017
4ETD
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BU of 4etd by Molmil
Lysozyme, room-temperature, rotating anode, 0.0026 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
5XC6
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BU of 5xc6 by Molmil
Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12
Descriptor: NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-3')
Authors:Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
Deposit date:2017-03-22
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017
5XOQ
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BU of 5xoq by Molmil
Crystal structure of O-Acetylserine Sulfhydrylase with bound Transcription Factor peptide inhibitor from Planctomyces limnophilus
Descriptor: Cysteine synthase, DI(HYDROXYETHYL)ETHER, GLY-PHE-SER-GLY-GLY-ASP-GLY-ILE
Authors:Singh, R.P, Saini, N.
Deposit date:2017-05-30
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of O-Acetylserine Sulfhydrylase with bound Transcription Factor peptide inhibitor from Planctomyces limnophilus
To Be Published
5XPK
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BU of 5xpk by Molmil
Crystal structure of ubiquitin-k6mimic
Descriptor: D-ubiquitin, Ubiquitin
Authors:Man, P, Shuai, G, Qian, Q, Lei, L.
Deposit date:2017-06-03
Release date:2017-07-19
Method:X-RAY DIFFRACTION (2.274 Å)
Cite:Structure of ubiquitin-k6mimic at 2.27 Angstroms resolution.
To Be Published
4C61
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BU of 4c61 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J.A, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
5XPX
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BU of 5xpx by Molmil
Structure elucidation of truncated AMS3 lipase from an Antarctic Pseudomonas
Descriptor: CALCIUM ION, Lipase, ZINC ION
Authors:Rahman, R.N.Z.R.A, Latip, W.
Deposit date:2017-06-05
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure elucidation of truncated AMS3 lipase from an Antarctic Pseudomonas
To Be Published
4DH3
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BU of 4dh3 by Molmil
Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ATP and IP20
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
7Y37
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BU of 7y37 by Molmil
Structure of a triple-helix region of human collagen type V
Descriptor: A triple-helix region of human collagen type V
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2022-06-10
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of a triple-helix region of human collagen type V
To Be Published
4DIK
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BU of 4dik by Molmil
Flavo Di-iron protein H90A mutant from Thermotoga maritima
Descriptor: CHLORIDE ION, FLAVOPROTEIN, MU-OXO-DIIRON
Authors:Fang, H, Caranto, J.D, Taylor, A.B, Hart, P.J, Kurtz Jr, D.M.
Deposit date:2012-01-31
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Histidine ligand variants of a flavo-diiron protein: effects on structure and activities.
J.Biol.Inorg.Chem., 17, 2012
4DN4
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BU of 4dn4 by Molmil
Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a
Descriptor: ACETATE ION, C-C motif chemokine 2, CNTO888 HEAVY CHAIN, ...
Authors:Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
5XC7
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BU of 5xc7 by Molmil
Dengue Virus 4 NS3 Helicase D290A mutant
Descriptor: CHLORIDE ION, GLYCEROL, NS3 Helicase
Authors:Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G.
Deposit date:2017-03-22
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication
Nucleic Acids Res., 45, 2017

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