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8QZ1
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Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58)
Descriptor: Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.588 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ3
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Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb67)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody 67, POTASSIUM ION, ...
Authors:Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8RDA
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Crystal structure of Haemophilus influenzae type b (Hib) DP2 oligosaccharide bound to Fab CA4
Descriptor: 1,2-ETHANEDIOL, Fab CA4 H chain, Fab CA4 L chain, ...
Authors:Nonne, F, Dello Iacono, L.
Deposit date:2023-12-07
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Multidisciplinary Structural Approach to the Identification of the Haemophilus influenzae Type b Capsular Polysaccharide Protective Epitope.
Acs Cent.Sci., 10, 2024
8RND
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Cathepsin S in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2024-01-09
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
4YEJ
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Tailspike protein double mutant D339A/E372Q of E. coli bacteriophage HK620 in complex with pentasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-02-24
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
8QZ4
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BU of 8qz4 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76)
Descriptor: BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QBM
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BU of 8qbm by Molmil
Retron-Eco1 filament with ADP-ribosylated Effector (full map with 2 segments)
Descriptor: MAGNESIUM ION, Retron Ec86 putative ribosyltransferase/DNA-binding protein, Retron Ec86 reverse transcriptase, ...
Authors:Carabias del Rey, A, Montoya, G.
Deposit date:2023-08-24
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
6Z7C
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BU of 6z7c by Molmil
Variant Surface Glycoprotein VSGsur mutant H122A
Descriptor: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
5EWJ
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BU of 5ewj by Molmil
CRYSTAL STRUCTURE OF AMINO TERMINAL DOMAINS OF THE NMDA RECEPTOR SUBUNIT GLUN1 AND GLUN2B IN COMPLEX WITH IFENPRODIL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, Glutamate receptor ionotropic, ...
Authors:Pandit, J.
Deposit date:2015-11-20
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A Novel Binding Mode Reveals Two Distinct Classes of NMDA Receptor GluN2B-selective Antagonists.
Mol.Pharmacol., 89, 2016
8QBL
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BU of 8qbl by Molmil
Retron-Eco1 filament with inactive effector (E106A, 2 segments)
Descriptor: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retron Ec86 putative ribosyltransferase/DNA-binding protein, ...
Authors:Carabias del Rey, A, Montoya, G.
Deposit date:2023-08-24
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
6Z7E
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BU of 6z7e by Molmil
Variant Surface Glycoprotein VSGsur mutant H122A soaked in 7.7 mM suramin
Descriptor: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.663 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
8QBK
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BU of 8qbk by Molmil
Retron-Eco1 filament with ADP-ribosylated Effector (local map with 1 segment)
Descriptor: MAGNESIUM ION, Retron Ec86 putative ribosyltransferase/DNA-binding protein, Retron Ec86 reverse transcriptase, ...
Authors:Carabias del Rey, A, Montoya, G.
Deposit date:2023-08-24
Release date:2024-06-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
4YLQ
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BU of 4ylq by Molmil
Crystal Structure of a FVIIa-Trypsin Chimera (FT) in Complex with Soluble Tissue Factor
Descriptor: CALCIUM ION, Coagulation factor VII, N-PROPANOL, ...
Authors:Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
Deposit date:2015-03-05
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis of Enhanced Activity in Factor VIIa-Trypsin Variants Conveys Insights into Tissue Factor-mediated Allosteric Regulation of Factor VIIa Activity.
J.Biol.Chem., 291, 2016
8QE4
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BU of 8qe4 by Molmil
Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions
Descriptor: DNA (5'-D(*CP*(FRG)P*CP*(FRG)P*CP*(FRG))-3')
Authors:El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M.
Deposit date:2023-08-30
Release date:2024-06-26
Last modified:2024-07-31
Method:SOLUTION NMR
Cite:Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
8QOR
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BU of 8qor by Molmil
Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions
Descriptor: DNA (5'-D(*(CFL)P*(FRG)P*(CFL)P*(FRG)P*(CFL)P*(FRG))-3')
Authors:El-Khoury, R, Cabrero, C, Movilla, S, Friedland, D, Thorpe, J.D, Roman, M, Orozco, M, Gonzalez, C, Damha, M.
Deposit date:2023-09-29
Release date:2024-06-26
Last modified:2024-07-31
Method:SOLUTION NMR
Cite:Formation of left-handed helices by C2'-fluorinated nucleic acids under physiological salt conditions.
Nucleic Acids Res., 52, 2024
4YIZ
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BU of 4yiz by Molmil
Crystal structure of engineered TgAMA1 lacking the DII loop in complex with an Eimeria tenella RON2D3 peptide
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Apical membrane antigen AMA1, ...
Authors:Parker, M.L, Boulanger, M.J.
Deposit date:2015-03-02
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Extended Surface Loop on Toxoplasma gondii Apical Membrane Antigen 1 (AMA1) Governs Ligand Binding Selectivity.
Plos One, 10, 2015
6Z7D
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BU of 6z7d by Molmil
Variant Surface Glycoprotein VSGsur mutant H122A soaked in 0.77 mM Suramin.
Descriptor: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-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:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
8QZJ
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BU of 8qzj by Molmil
Crystal structure of PptT-ADP from Mycobacterium tuberculosis
Descriptor: 4'-phosphopantetheinyl transferase PptT, ADENOSINE-3'-5'-DIPHOSPHATE, MANGANESE (II) ION
Authors:Gavalda, S, Mourey, L, Pedelacq, J.D.
Deposit date:2023-10-27
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
8RDU
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BU of 8rdu by Molmil
Conformational Landscape of the Type V-K CRISPR-associated TransposonIntegration Assembly CAST V-K composite map
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, LE, MAGNESIUM ION, ...
Authors:Tenjo-Castano, F, Mesa, P, Montoya, G.
Deposit date:2023-12-08
Release date:2024-06-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Conformational landscape of the type V-K CRISPR-associated transposon integration assembly.
Mol.Cell, 84, 2024
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
8QZI
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BU of 8qzi by Molmil
Crystal structure of PptT-ACP from Mycobacterium tuberculosis
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, ISOPROPYL ALCOHOL, ...
Authors:Gavalda, S, Mourey, L, Pedelacq, J.D.
Deposit date:2023-10-27
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases
Acs Catalysis, 14, 2024
8R7Y
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BU of 8r7y by Molmil
Deoxyribonucleoside regulator DeoR in complex with the DNA operator
Descriptor: Deoxyribonucleoside regulator, OL18 DNA operator, strand 1, ...
Authors:Pachl, P, Soltysova, M, Rezacova, P.
Deposit date:2023-11-27
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function.
Nucleic Acids Res., 52, 2024
8RPJ
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BU of 8rpj by Molmil
JanthE from Janthinobacterium sp. HH01
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
Deposit date:2024-01-16
Release date:2024-06-12
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QQI
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E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800
Descriptor: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Ghilarov, D, Martin, N.I, van der Stelt, M.
Deposit date:2023-10-04
Release date:2024-06-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 2024

224004

数据于2024-08-21公开中

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