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6K6W
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BU of 6k6w by Molmil
Structure of RNase J2 from Staphylococcus epidermidis
Descriptor: MANGANESE (II) ION, Ribonuclease J 2
Authors:Raj, R, Gopal, B.
Deposit date:2019-06-05
Release date:2020-10-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of RNase J1 from Staphylococcus epidermidis
J.Biol.Chem., 2020
7SIZ
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BU of 7siz by Molmil
C-type inactivation in a voltage gated K+ channel
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Voltage gated potassium channel Kv1.2-Kv2.1, ...
Authors:Reddi, R, Riederer, E.A, Matulef, K, Whorton, M.R, Valiyaveetil, F.I.
Deposit date:2021-10-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for C-type inactivation in a Shaker family voltage-gated K + channel.
Sci Adv, 8, 2022
7MYT
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BU of 7myt by Molmil
Crystal Structure of HPV L1-directed B25.M05 Fab
Descriptor: B25.M05 Fab Heavy Chain, B25.M05 Fab Light Chain
Authors:Singh, S, Pancera, M.
Deposit date:2021-05-21
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization of Immune Responses to HPV vaccination
To Be Published
8TRL
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BU of 8trl by Molmil
T cell recognition of citrullinated alpha-enolase peptide presented by HLA-DR4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lim, J.J, Loh, T.J, Reid, H.H, Rossjohn, J.
Deposit date:2023-08-09
Release date:2024-07-31
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular basis underlying T cell specificity towards citrullinated epitopes presented by HLA-DR4.
Nat Commun, 15, 2024
8BJ7
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BU of 8bj7 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Hinact-like state
Descriptor: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
Authors:Bikbaev, K, Span, I.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
7S3L
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BU of 7s3l by Molmil
Structure of Bacillus subtilis CcrZ (previously called YtmP)
Descriptor: Aminoglycoside phosphotransferase family protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Nandakumar, J, Wozniak, K.J.
Deposit date:2021-09-07
Release date:2022-05-11
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and kinase activity of bacterial cell cycle regulator CcrZ.
Plos Genet., 18, 2022
6CE1
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BU of 6ce1 by Molmil
Crystal structure of Peptidyl Arginine Deiminase Type III (PADI3)
Descriptor: Protein-arginine deiminase type-3
Authors:Rechiche, O, Lee, T.V, Lott, J.S.
Deposit date:2018-02-10
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural characterization of human peptidyl-arginine deiminase type III by X-ray crystallography
Acta Crystallogr.,Sect.F, 77, 2021
8TV2
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BU of 8tv2 by Molmil
Structure of apo FabS1C_L1
Descriptor: CHLORIDE ION, S1C variant of Fab_L1 heavy chain, S1C variant of Fab_L1 light chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation
To be published
8TLR
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BU of 8tlr by Molmil
Crystal Structure of human HRAS G12C covalently bound to AMG 510
Descriptor: AMG 510 (bound form), GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Morstein, J, Guiley, K.Z, Shokat, K.M.
Deposit date:2023-07-27
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.70003951 Å)
Cite:Targeting Ras-, Rho-, and Rab-family GTPases via a conserved cryptic pocket.
Cell, 2024
6CG4
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BU of 6cg4 by Molmil
Covalently crosslinked trimer of a macrocyclic peptide derived from Abeta(17-36) - (ORN)LCVFFCED(ORN)AII(2-nitrobenzylglycine)L(ORN)V
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-EZY-LEU-ORN-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-02-19
Release date:2018-05-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.083 Å)
Cite:Controlling the Oligomerization State of A beta-Derived Peptides with Light.
J. Am. Chem. Soc., 140, 2018
8BCR
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BU of 8bcr by Molmil
DENV3 Methyltransferase in complexed with AT-9010 and SAH
Descriptor: Genome polyprotein, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Gauffre, P, Fattorini, V, Canard, B, Ferron, F.
Deposit date:2022-10-17
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:AT-752 targets multiple sites and activities on the Dengue virus replication enzyme NS5.
Antiviral Res., 212, 2023
7RYN
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BU of 7ryn by Molmil
CD1a-sulfatide-gdTCR complex
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wegrecki, M, Le Nours, J, Rossjohn, J.
Deposit date:2021-08-25
Release date:2022-05-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
6CGK
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BU of 6cgk by Molmil
Structure of the HAD domain of effector protein Lem4 (lpg1101) from Legionella pneumophila (inactive mutant)with phosphate bound in the active site
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Beyrakhova, K.A, Xu, C, Cygler, M.
Deposit date:2018-02-20
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:Legionella pneumophilaeffector Lem4 is a membrane-associated protein tyrosine phosphatase.
J. Biol. Chem., 293, 2018
8TRQ
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BU of 8trq by Molmil
T cell recognition of citrullinated vimentin peptide presented by HLA-DR4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A07 TCR alpha chain, A07 TCR beta chain, ...
Authors:Loh, T.J, Lim, J.J, Reid, H.H, Rossjohn, J.
Deposit date:2023-08-10
Release date:2024-07-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The molecular basis underlying T cell specificity towards citrullinated epitopes presented by HLA-DR4.
Nat Commun, 15, 2024
6KAH
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BU of 6kah by Molmil
Crosslinked alpha(Ni)-beta(Fe-CO) human hemoglobin A in the T quaternary structure at 95 K: Dark
Descriptor: BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-06-23
Release date:2020-02-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6CGP
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BU of 6cgp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-02-20
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.
Org. Lett., 20, 2018
6KAQ
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BU of 6kaq by Molmil
Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Dark
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-06-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6CH4
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BU of 6ch4 by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia S376N mutant in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-02-21
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
7RYL
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BU of 7ryl by Molmil
T cell receptor CO3
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, T cell receptor delta variable 1,T cell receptor alpha chain constant, ...
Authors:Wegrecki, M, Le Nours, J, Rossjohn, J.
Deposit date:2021-08-25
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
8TRR
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BU of 8trr by Molmil
T cell recognition of citrullinated vimentin peptide presented by HLA-DR4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Loh, T.J, Lim, J.J, Reid, H.H, Rossjohn, J.
Deposit date:2023-08-10
Release date:2024-07-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The molecular basis underlying T cell specificity towards citrullinated epitopes presented by HLA-DR4.
Nat Commun, 15, 2024
6KAU
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BU of 6kau by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Dark
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
Deposit date:2019-06-24
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KB1
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BU of 6kb1 by Molmil
X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by soaking
Descriptor: 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I.
Deposit date:2019-06-24
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
7SCW
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BU of 7scw by Molmil
KRAS full length wild-type in complex with RGL1 Ras association domain
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B.
Deposit date:2021-09-29
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant.
J.Mol.Biol., 434, 2022
7SCX
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BU of 7scx by Molmil
KRAS full-length G12V in complex with RGL1 Ras association domain
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B.
Deposit date:2021-09-29
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant.
J.Mol.Biol., 434, 2022
8TFW
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BU of 8tfw by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-07-12
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
To Be Published

227111

數據於2024-11-06公開中

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