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7LSV
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BU of 7lsv by Molmil
Non-kinase domain of Legionella effector protein kinase LegK2
Descriptor: Calmodulin-dependent protein kinase, MALONATE ION, SODIUM ION
Authors:Beyrakhova, K.A, van Straaten, K, Cygler, M.
Deposit date:2021-02-18
Release date:2022-01-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Non-kinase domain of Legionella effector protein kinase LegK2
To Be Published
7LNP
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BU of 7lnp by Molmil
Structure of the exo-alpha-L-galactosidase BpGH29 (D264N mutant) from Bacteroides plebeius in complex with paranitrophenyl-alpha-L-galactopyranoside
Descriptor: CALCIUM ION, CHLORIDE ION, Exo-alpha-L-galactosidase, ...
Authors:Boraston, A.B, Robb, C.S.
Deposit date:2021-02-08
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
6GVR
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BU of 6gvr by Molmil
TAILSPIKE PROTEIN MUTANT E372Q (DELTA N471/S472) OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Roske, Y, Gohlke, U.
Deposit date:2018-06-21
Release date:2018-07-11
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
7LJ2
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BU of 7lj2 by Molmil
Structure of Exo-L-galactose-6-sulfatase BuS1_11 from Bacteroides uniformis in complex with neoporphyrabiose
Descriptor: 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, CALCIUM ION, Exo-L-galactose-6-sulfatase, ...
Authors:Robb, C.S, Boraston, A.B.
Deposit date:2021-01-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7LPF
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BU of 7lpf by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-11
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.10 Angstrom resolution
To be Published
7LI0
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BU of 7li0 by Molmil
Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open conformation
Descriptor: CARBONATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B.
Deposit date:2021-01-26
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens.
Biometals, 2022
7LRF
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BU of 7lrf by Molmil
Netrin-1 in complex with SOS
Descriptor: 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
Authors:Gupta, M, McDougall, M, Torres, A.M, Stetefeld, J.
Deposit date:2021-02-16
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation.
Nat Commun, 14, 2023
7LOQ
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BU of 7loq by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-10
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LN9
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BU of 7ln9 by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7LPL
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BU of 7lpl by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 3 (merged)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-12
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LPM
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BU of 7lpm by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, crystal 2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-12
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7XMS
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BU of 7xms by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
4MMD
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BU of 4mmd by Molmil
Crystal structure of LeuBAT (delta6 mutant) in complex with (S)-duloxetine
Descriptor: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, SODIUM ION, Transporter, ...
Authors:Wang, H, Gouaux, E.
Deposit date:2013-09-08
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for action by diverse antidepressants on biogenic amine transporters.
Nature, 503, 2013
7XMT
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BU of 7xmt by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) with Gi1 and J-2156
Descriptor: (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
Deposit date:2022-04-26
Release date:2022-08-03
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7LLP
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BU of 7llp by Molmil
X-ray radiation damage series on Lysozyme at 277K, crystal structure, dataset 1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-04
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LN8
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BU of 7ln8 by Molmil
X-ray radiation damage series on Lysozyme at 277K, crystal structure, dataset 3
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7LOR
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BU of 7lor by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 3
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-10
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
6FOA
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BU of 6foa by Molmil
Human Xylosyltransferase 1 apo structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, SODIUM ION, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2018-02-06
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.869 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
7VPE
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BU of 7vpe by Molmil
Falcilysin in complex with A1
Descriptor: (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole, ACETATE ION, CHLORIDE ION, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2021-10-16
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Title is not available yet as we are preparing the manuscript. Will update again once the paper is out.
To Be Published
7GNP
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BU of 7gnp by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-5 (Mpro-P2889)
Descriptor: (4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadamantan-1-yl]amino}-2-oxoethyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
4MVS
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BU of 4mvs by Molmil
Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, Ion transport protein
Authors:Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A.
Deposit date:2013-09-24
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
7X5Q
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BU of 7x5q by Molmil
Apo Truncated VhChiP (Delta 1-19) in complex with peptide (DGANSDAAK)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ASP-GLY-ALA-ASN-SER-ASP, Chitoporin, ...
Authors:Sanram, S, Aunkham, A, Suginta, W, Robinson, R.C.
Deposit date:2022-03-05
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and function of truncated VhChiP
To Be Published
7X0Z
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BU of 7x0z by Molmil
Cryo-EM structure of human ABCD1 E630Q in the presence of ATP and Magnesium in outward-facing state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family D member 1, MAGNESIUM ION
Authors:Chao, X, Li-Na, J, Lin, T.
Deposit date:2022-02-22
Release date:2023-03-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP.
Signal Transduct Target Ther, 8, 2023
7XE6
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BU of 7xe6 by Molmil
T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, pH7
Descriptor: Endolysin, GLYCEROL, HEXANE-1,6-DIOL, ...
Authors:Tamada, T, Hiromoto, T.
Deposit date:2022-03-30
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022

223790

數據於2024-08-14公開中

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