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8X5K
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BU of 8x5k by Molmil
The Crystal Structure of SYK from Biortus.
Descriptor: 1,2-ETHANEDIOL, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z.
Deposit date:2023-11-17
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of SYK from Biortus.
To Be Published
8XFM
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BU of 8xfm by Molmil
The Crystal Structure of MNK2 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one, MAP kinase-interacting serine/threonine-protein kinase 2, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-12-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of MNK2 from Biortus.
To Be Published
8OVS
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BU of 8ovs by Molmil
Crystal structure of YeGT glycosyltransferase with bound UDP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ...
Authors:Wirth, C, Hunte, C.
Deposit date:2023-04-26
Release date:2024-05-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.123 Å)
Cite:Tyrosine-modifying glycosylation by Yersinia effectors.
J.Biol.Chem., 300, 2024
6Z5C
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BU of 6z5c by Molmil
Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070
Descriptor: 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070
To Be Published
9GI0
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BU of 9gi0 by Molmil
Truncated MmpL4 in detergent
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, Siderophore exporter MmpL4
Authors:Earp, J.C, Garaeva, A.A, Seeger, M.A.
Deposit date:2024-08-16
Release date:2025-02-19
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of siderophore export and drug efflux by Mycobacterium tuberculosis.
Nat Commun, 16, 2025
8X70
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BU of 8x70 by Molmil
The Crystal Structure of IFI16 from Biortus.
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Gamma-interferon-inducible protein 16, ...
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Wang, J.
Deposit date:2023-11-22
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of IFI16 from Biortus.
To Be Published
6Z74
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BU of 6z74 by Molmil
Structure of the transcriptional repressor Atu1419 (VanR) in complex with a fortuitous citrate from agrobacterium fabrum
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, V.
Deposit date:2020-05-29
Release date:2020-12-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the first tetrameric transcription factor of the GntR superfamily with allosteric regulation from the bacterial pathogen Agrobacterium fabrum.
Nucleic Acids Res., 49, 2021
8EDQ
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BU of 8edq by Molmil
E. coli pyruvate kinase (PykF) I264F
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-09-05
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
9B2Z
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BU of 9b2z by Molmil
Actin-bound Legionella pneumophila AMPylase LnaB with AMPylated catalytic histidine
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Zhang, Z, Das, C.
Deposit date:2024-03-18
Release date:2025-01-08
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-EM Detection of AMPylated Histidine Implies Covalent Catalysis in AMPylation Mediated by a Bacterial Effector.
J.Mol.Biol., 437, 2024
6WCV
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BU of 6wcv by Molmil
Tartryl-CoA bound to human GTP-specific succinyl-CoA synthetase
Descriptor: (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name), Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2020-03-31
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Tartryl-CoA inhibits succinyl-CoA synthetase
Acta Crystallogr.,Sect.F, 76, 2020
7D7Z
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BU of 7d7z by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+), soaked in Mn2+
Descriptor: 18GAAA(52-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, H, Ren, A.M.
Deposit date:2020-10-06
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
6O5T
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BU of 6o5t by Molmil
Crystal Structure of VIM-2 with Compound 16
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-03-04
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6WEL
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BU of 6wel by Molmil
Structure of cGMP-unbound F403V/V407A mutant TAX-4 reconstituted in lipid nanodiscs
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ...
Authors:Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J.
Deposit date:2020-04-02
Release date:2020-06-03
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
9BA8
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BU of 9ba8 by Molmil
O-GlcNAcase (OGA) inhibitor complex for the Treatment of Alzheimer's Disease
Descriptor: N-[4-fluoro-5-({(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl}methyl)-1,3-thiazol-2-yl]acetamide, Protein O-GlcNAcase
Authors:Hendle, J, Romero, R.
Deposit date:2024-04-03
Release date:2025-01-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery and clinical translation of ceperognastat, an O-GlcNAcase (OGA) inhibitor, for the treatment of Alzheimer's disease.
Alzheimers Dement (N Y), 10, 2024
8ONO
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BU of 8ono by Molmil
Modified oligopeptidase B from S. proteamaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution
Descriptor: Oligopeptidase B, SPERMINE
Authors:Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V.
Deposit date:2023-04-03
Release date:2023-05-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Modified oligopeptidase B from S. proteomaculans in intermediate conformation with 5 spermine molecule at 1.65 A resolution
To Be Published
6OTV
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BU of 6otv by Molmil
Crystal structure of putative isomerase EC2056
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
Authors:Chang, C, Evdokimova, E, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-03
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of putative isomerase EC2056
To Be Published
6OUC
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BU of 6ouc by Molmil
Asymmetric focsued reconstruction of human norovirus GII.2 Snow Mountain Virus strain VLP asymmetric unit in T=1 symmetry
Descriptor: Viral protein 1, ZINC ION
Authors:Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L.
Deposit date:2019-05-04
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations.
Proc.Natl.Acad.Sci.USA, 116, 2019
8AGS
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BU of 8ags by Molmil
Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site
Descriptor: 1,2-ETHANEDIOL, 2-CHLOROPHENOL, Alpha/beta epoxide hydrolase, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
6UF9
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BU of 6uf9 by Molmil
S4 symmetric peptide design number 1, Tim apo form
Descriptor: S4-1, Tim apo-form, SULFATE ION
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-24
Release date:2020-12-02
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
9GXZ
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BU of 9gxz by Molmil
Structure of the Medicago truncatula LYR4 ectodomain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, LysM-domain receptor-like kinase, ...
Authors:Ruebsam, H, Gysel, K, Andersen, K.R.
Deposit date:2024-10-01
Release date:2025-07-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for size-selective perception of chitin in plants
To Be Published
6R5D
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BU of 6r5d by Molmil
Crystal structure of the Pri1 subunit of human primase bound to dATP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA primase small subunit, ...
Authors:Kilkenny, M.L, Pellegrini, L.
Deposit date:2019-03-24
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine.
Acs Chem.Biol., 14, 2019
8RVS
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BU of 8rvs by Molmil
Crystal structure of alpha keto acid C-methyl-transferases MrsA bound to SAM
Descriptor: 1,2-ETHANEDIOL, 2-ketoarginine methyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Gerhardt, S, Andexer, J.N.
Deposit date:2024-02-02
Release date:2024-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Chembiochem, 25, 2024
8E77
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BU of 8e77 by Molmil
rystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA), incomplete with its external aldimine reaction intermediate
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, ...
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
9FXG
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BU of 9fxg by Molmil
Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state
Descriptor: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
8DU7
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BU of 8du7 by Molmil
Room-temperature serial synchrotron crystallography (SSX) structure of apo PTP1B
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Sharma, S, Keedy, D.A.
Deposit date:2022-07-27
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B.
Acta Crystallogr.,Sect.F, 79, 2023

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數據於2025-11-05公開中

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