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7YYJ
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BU of 7yyj by Molmil
Tetragonal crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
Descriptor: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-18
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7NA9
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BU of 7na9 by Molmil
Crystal structure of BoNT/B-LC-JSG-C1
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin type B, JSG-C1, ...
Authors:Lam, K, Jin, R.
Deposit date:2021-06-20
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7YZ8
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BU of 7yz8 by Molmil
Triclinic crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
Descriptor: THIOCYANATE ION, YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-19
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
6MON
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BU of 6mon by Molmil
Crystal structure of human SMYD2 in complex with Nle-peptide inhibitor
Descriptor: GLYCEROL, LYS-LEU-NLE-SER-LYS-ARG-GLY, N-lysine methyltransferase SMYD2, ...
Authors:Spellmon, N, Cornett, E, Brunzelle, J, Rothbart, S, Yang, Z.
Deposit date:2018-10-04
Release date:2018-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:A functional proteomics platform to reveal the sequence determinants of lysine methyltransferase substrate selectivity.
Sci Adv, 4, 2018
8WBP
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BU of 8wbp by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant E212Q
Descriptor: Epoxide hydrolase
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
7NIT
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BU of 7nit by Molmil
X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum
Descriptor: Beta-galactosidase, CALCIUM ION, GLYCEROL, ...
Authors:Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S.
Deposit date:2021-02-14
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
7YXF
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BU of 7yxf by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-02-16
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
8VGZ
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BU of 8vgz by Molmil
Influenza PA-N Endonuclease E23K Mutant (amino acids 52-74 truncation)
Descriptor: MANGANESE (II) ION, Protein PA-X
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-12-30
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
5DL5
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BU of 5dl5 by Molmil
Crystal structure of Acinetobacter baumannii OccAB1
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Membrane protein, PHOSPHATE ION
Authors:Zahn, M, Basle, A, van den Berg, B.
Deposit date:2015-09-04
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Outer Membrane Permeability of Acinetobacter baumannii.
Structure, 24, 2016
7NHF
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BU of 7nhf by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
7PEH
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BU of 7peh by Molmil
Crystal Structure of a Class D Carbapenemase
Descriptor: 1-BUTANOL, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
5HAP
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BU of 5hap by Molmil
OXA-48 beta-lactamase - S70A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
7MWI
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BU of 7mwi by Molmil
Crystal structure of human BAZ2A
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
8VW2
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BU of 8vw2 by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ATP bound)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-31
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ATP bound)
To be published
7NND
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BU of 7nnd by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
8VW1
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BU of 8vw1 by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ADP bound)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-31
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ADP bound)
To be published
7Z1G
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BU of 7z1g by Molmil
Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ...
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-02-24
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945
To Be Published
7YYE
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BU of 7yye by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I
Descriptor: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-17
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7NNE
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BU of 7nne by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 22
Descriptor: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
8WBN
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BU of 8wbn by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D193N
Descriptor: Epoxide hydrolase, SULFATE ION
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
7PDY
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BU of 7pdy by Molmil
A viral peptide from Marek's disease virus bound to chicken MHC-II molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 38 kDa phosphoprotein,MHC class II beta chain, ...
Authors:Goryanin, A, Cook, A.G, Kaufman, J, Halabi, S.
Deposit date:2021-08-09
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Viral peptide bound to chicken MHC-II molecule
To Be Published
7NMX
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BU of 7nmx by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 12
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CALCIUM ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
5DU3
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BU of 5du3 by Molmil
Active form of human C1-inhibitor
Descriptor: Plasma protease C1 inhibitor
Authors:Pannu, N.S, Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A.
Deposit date:2015-09-18
Release date:2016-08-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
7NMA
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BU of 7nma by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7PXR
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BU of 7pxr by Molmil
Room temperature structure of an LPMO.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022

226707

數據於2024-10-30公開中

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