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PDB: 113 件

6TT0
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Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor
分子名称: (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M.
登録日2019-12-22
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.80003023 Å)
主引用文献Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
8S9E
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Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca
分子名称: Disintegrin jarastatin
著者Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L.
登録日2023-03-28
公開日2023-11-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3.
Int.J.Biol.Macromol., 255, 2024
6QUK
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Protein crystallization by ionic liquid hydrogel support: glucose isomerase grown by using ionic liquid hydrogel
分子名称: GLYCEROL, MANGANESE (II) ION, SULFATE ION, ...
著者Belviso, B.D, Caliandro, R, Caliandro, R.
登録日2019-02-27
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
Crystals, 9, 2019
6QUF
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Protein crystallization by ionic liquid hydrogel support: reference crystal of glucose isomerase grown on standard silanized glass
分子名称: GLYCEROL, MANGANESE (II) ION, SULFATE ION, ...
著者Belviso, B.D, Caliandro, R, Caliandro, R.
登録日2019-02-27
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
Crystals, 9, 2019
5L2X
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Crystal structure of human PrimPol ternary complex
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ...
著者Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
登録日2016-08-02
公開日2016-11-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and mechanism of human PrimPol, a DNA polymerase with primase activity.
Sci Adv, 2, 2016
3UTZ
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BU of 3utz by Molmil
Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential
分子名称: Metalloproteinase, heavy chain, light chain, ...
著者Sela-Passwell, N, Kikkeri, R, Dym, O, Rozenberg, H, Margalit, R, Arad-Yellin, R, Eisenstein, M, Brenner, O, Shoham, T, Danon, T, Shanzer, A, Sagi, I, Israel Structural Proteomics Center (ISPC)
登録日2011-11-27
公開日2011-12-14
最終更新日2017-03-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Antibodies targeting the catalytic zinc complex of activated matrix metalloproteinases show therapeutic potential.
NAT.MED. (N.Y.), 18, 2012
6EO8
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Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
分子名称: DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ...
著者Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D.
登録日2017-10-09
公開日2017-12-13
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
6EO9
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Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
分子名称: DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ...
著者Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D.
登録日2017-10-09
公開日2017-12-13
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
6RV5
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X-ray structure of the levansucrase from Erwinia tasmaniensis in complex with levanbiose
分子名称: GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION, ...
著者Polsinelli, I, Caliandro, R, Demitri, N, Benini, S.
登録日2019-05-31
公開日2020-04-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Structure of Sucrose-Soaked Levansucrase Crystals fromErwinia tasmaniensisreveals a Binding Pocket for Levanbiose.
Int J Mol Sci, 21, 2019
6MRC
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BU of 6mrc by Molmil
ADP-bound human mitochondrial Hsp60-Hsp10 football complex
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I.
登録日2018-10-12
公開日2020-04-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin.
Nat Commun, 11, 2020
6MRD
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ADP-bound human mitochondrial Hsp60-Hsp10 half-football complex
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I.
登録日2018-10-12
公開日2020-04-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin.
Nat Commun, 11, 2020
5H6Z
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Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe
分子名称: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, SET domain-containing protein 7, ...
著者Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E.
登録日2016-11-15
公開日2017-11-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
6SNI
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Cryo-EM structure of nanodisc reconstituted yeast ALG6 in complex with 6AG9 Fab
分子名称: 6AG9-Fab heavy chain, 6AG9-Fab light chain, CHOLESTEROL HEMISUCCINATE, ...
著者Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P.
登録日2019-08-24
公開日2020-03-11
最終更新日2020-04-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure and mechanism of the ER-based glucosyltransferase ALG6.
Nature, 579, 2020
6SNH
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Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and Dol25-P-Glc
分子名称: 6AG9 Fab heavy chain, 6AG9 Fab light chain, Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase, ...
著者Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P.
登録日2019-08-24
公開日2020-03-11
最終更新日2020-04-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure and mechanism of the ER-based glucosyltransferase ALG6.
Nature, 579, 2020
8FBZ
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Crystal Structure of apo human Glutathione Synthetase Y270E
分子名称: GLYCEROL, Glutathione synthetase, SULFATE ION
著者Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N.
登録日2022-11-30
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024
4G9L
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BU of 4g9l by Molmil
Structure of MMP3 complexed with NNGH inhibitor.
分子名称: CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-1, ...
著者Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D.
登録日2012-07-24
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
6U4B
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WbbM bifunctional glycosytransferase apo structure
分子名称: MAGNESIUM ION, WbbM protein
著者Kimber, M.S, Mallette, E, Kamski-Hennekam, E.R, Gitalis, R.
登録日2019-08-25
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A bifunctional O-antigen polymerase structure reveals a new glycosyltransferase family.
Nat.Chem.Biol., 16, 2020
6FRW
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BU of 6frw by Molmil
X-ray structure of the levansucrase from Erwinia tasmaniensis
分子名称: GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION
著者Polsinelli, I, Salomone-Stagni, M, Caliandro, R, Demitri, N, Benini, S.
登録日2018-02-16
公開日2019-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Comparison of the Levansucrase from the epiphyte Erwinia tasmaniensis vs its homologue from the phytopathogen Erwinia amylovora.
Int. J. Biol. Macromol., 127, 2019
8PM6
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Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs
分子名称: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Bile salt export pump, CHOLESTEROL
著者Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
登録日2023-06-28
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
8AGE
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Structure of yeast oligosaccharylransferase complex with acceptor peptide bound
分子名称: (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate, ...
著者Ramirez, A.S, de Capitani, M, Pesciullesi, G, Kowal, J, Bloch, J.S, Irobalieva, R.N, Aebi, M, Reymond, J.L, Locher, K.P.
登録日2022-07-19
公開日2022-12-07
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase.
Nat Commun, 13, 2022
8PMJ
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Vanadate-trapped BSEP in nanodiscs
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, ...
著者Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
登録日2023-06-28
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
8PMD
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Nucleotide-bound BSEP in nanodiscs
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Bile salt export pump, MAGNESIUM ION
著者Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P.
登録日2023-06-28
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
3N30
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Crystal Structure of cubic Zn3-hUb (human ubiquitin) adduct
分子名称: Ubiquitin, ZINC ION
著者Siliqi, D, Caliandro, R, Arnesano, F, Natile, G, Falini, G, Fermani, S, Belviso, B.D.
登録日2010-05-19
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis of metal-ion binding to human ubiquitin.
Chemistry, 17, 2011
3N32
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The crystal structure of human Ubiquitin adduct with Zeise's salt
分子名称: PLATINUM (II) ION, Ubiquitin
著者Siliqi, D, Caliandro, R, Falini, G, Fermani, S, Natile, G, Arnesano, F, Belviso, B.D.
登録日2010-05-19
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Crystallographic analysis of metal-ion binding to human ubiquitin.
Chemistry, 17, 2011
7ZLJ
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BU of 7zlj by Molmil
Cryo-EM structure of C-mannosyltransferase CeDPY19, in ternary complex with Dol25-P-C-Man and acceptor peptide, bound to CMT2-Fab and anti-Fab nanobody
分子名称: Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ...
著者Bloch, J.S, Mao, R, Mukherjee, S, Boilevin, J, Irobalieva, R, Darbre, T, Reymond, J.L, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P.
登録日2022-04-15
公開日2023-01-11
最終更新日2023-05-10
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023

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