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7T4K
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BU of 7t4k by Molmil
Structure of dimeric phosphorylated Pediculus humanus (Ph) PINK1 with kinked alpha-C helix in chain B
分子名称: Serine/threonine-protein kinase PINK1, putative
著者Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
登録日2021-12-10
公開日2022-01-12
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Activation mechanism of PINK1.
Nature, 602, 2022
6Q2Y
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BU of 6q2y by Molmil
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7T4N
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BU of 7t4n by Molmil
Structure of dimeric unphosphorylated Pediculus humanus (Ph) PINK1 D357A mutant
分子名称: Serine/threonine-protein kinase PINK1, putative
著者Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
登録日2021-12-10
公開日2022-01-12
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Activation mechanism of PINK1.
Nature, 602, 2022
7SXX
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BU of 7sxx by Molmil
Cryo-EM structure of the SARS-CoV-2 D614G mutant spike protein ectodomain bound to human ACE2 ectodomain (global refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Kim, A, Li, W, Dimitrov, D.S, Subramaniam, S.
登録日2021-11-24
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural analysis of receptor binding domain mutations in SARS-CoV-2 variants of concern that modulate ACE2 and antibody binding.
Cell Rep, 37, 2021
6Q28
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BU of 6q28 by Molmil
Metal ROK rebel: Characterisation of N-acetylmannosamine kinase from the pathogen Staphylococcus aureus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylmannosamine kinase
著者Coombes, D, Horne, C.R, Dobson, R.C.J.
登録日2019-08-07
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus.
J.Biol.Chem., 295, 2020
6Q45
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BU of 6q45 by Molmil
F1-ATPase from Fusobacterium nucleatum
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M.
登録日2018-12-05
公開日2019-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum.
Open Biology, 9, 2019
6Q6P
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BU of 6q6p by Molmil
Antarctic fish cytoglobin 1 from D.mawsoni
分子名称: Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C.
登録日2018-12-11
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
4KM4
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BU of 4km4 by Molmil
E. coli alkaline phosphatase mutant S102G/R166S in complex with inorganic phosphate
分子名称: Alkaline phosphatase, PHOSPHATE ION, ZINC ION
著者Andrews, L.D, Fenn, T.D, Herschlag, D.
登録日2013-05-08
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ground state destabilization by anionic nucleophiles contributes to the activity of phosphoryl transfer enzymes.
Plos Biol., 11, 2013
6Q61
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BU of 6q61 by Molmil
Pore-modulating toxins exploit inherent slow inactivation to block K+ channels
分子名称: Kunitz-type conkunitzin-S1, SULFATE ION
著者Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E.
登録日2018-12-10
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
7T4L
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BU of 7t4l by Molmil
Structure of dimeric phosphorylated Pediculus humanus (Ph) PINK1 with extended alpha-C helix in chain B
分子名称: Serine/threonine-protein kinase PINK1, putative
著者Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
登録日2021-12-10
公開日2022-01-12
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Activation mechanism of PINK1.
Nature, 602, 2022
6Q7G
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BU of 6q7g by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01
分子名称: 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.047 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6Q7B
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BU of 6q7b by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.009 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
7SLZ
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BU of 7slz by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
分子名称: Glucose-induced degradation protein 4 homolog, N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide
著者Song, X, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
To Be Published
6Q7S
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BU of 6q7s by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, PHENOL, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-13
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6Q83
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BU of 6q83 by Molmil
Crystal structure of the biportin Pdr6 in complex with UBC9
分子名称: Importin beta-like protein KAP122, UBC9
著者Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D.
登録日2018-12-14
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.53 Å)
主引用文献Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
4KR4
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BU of 4kr4 by Molmil
Salmonella typhi OmpF complex with Ampicillin
分子名称: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Outer membrane protein F
著者Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S.
登録日2013-05-16
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Salmonella typhi OmpF complex with Ampicillin
To be published
7T4M
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BU of 7t4m by Molmil
Structure of dodecameric unphosphorylated Pediculus humanus (Ph) PINK1 D357A mutant
分子名称: Serine/threonine-protein kinase PINK1, putative
著者Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D.
登録日2021-12-10
公開日2022-01-12
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Activation mechanism of PINK1.
Nature, 602, 2022
6QBO
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BU of 6qbo by Molmil
structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
分子名称: Cell wall assembly regulator SMI1
著者Ramos, N, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D.
登録日2018-12-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
To Be Published
6QEH
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BU of 6qeh by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5-Chloro-quinolin-8-ol
分子名称: 5-chloranylquinolin-8-ol, GLYCEROL, MANGANESE (II) ION, ...
著者Musil, D, Heinrich, T, Lehmann, M.
登録日2019-01-07
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
6QG4
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BU of 6qg4 by Molmil
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1h
分子名称: 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6QEJ
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BU of 6qej by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR Thiophene-2-sulfonic acid (4-fluoro-benzyl)-(4H-[1,2,4]triazol-3-ylmethyl)-amide
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Musil, D, Heinrich, T, Lehmann, M.
登録日2019-01-07
公開日2019-05-01
最終更新日2019-06-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
6QFR
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Structure of the mitogen activated kinase kinase 7 dfg-out conformation
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6QJS
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BU of 6qjs by Molmil
Crystal structure of a DNA dodecamer containing a tetramethylpiperidinoxyl (nitroxide) spin label
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*(S6M)P*GP*CP*G)-3')
著者Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E.
登録日2019-01-24
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis.
Nucleic Acids Res., 48, 2020
6Q5V
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BU of 6q5v by Molmil
1-Cys SiPrx, a Prx6-family 1-Cys peroxiredoxin of the thermoacidophilic archaeon Sulfolobus islandicus
分子名称: Peroxiredoxin
著者Stroobants, S, Maes, D, Peeters, E, van Molle, I.
登録日2018-12-09
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献Structure of the Prx6-subfamily 1-Cys peroxiredoxin from Sulfolobus islandicus.
Acta Crystallogr.,Sect.F, 75, 2019
6Q82
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Crystal structure of the biportin Pdr6 in complex with RanGTP
分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, Importin beta-like protein KAP122, ...
著者Aksu, M, Vera-Rodriguez, A, Trakhanov, S, Gorlich, D.
登録日2018-12-14
公開日2019-05-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019

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