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6N4Z
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Tetragonal thermolysin (with 50% xylose) plunge cooled in liquid nitrogen to 77 K
分子名称: CALCIUM ION, Thermolysin, ZINC ION, ...
著者Juers, D.H, Harrison, K, Wu, B.
登録日2018-11-20
公開日2019-10-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A comparison of gas stream cooling and plunge cooling of macromolecular crystals.
J.Appl.Crystallogr., 52, 2019
8IWD
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Aspergillus niger Rha-2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H.
登録日2023-03-29
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
7O5T
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Crystal Structure of a Class D Carbapenemase Complexed with Bromide
分子名称: BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5N
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Crystal Structure of a Class D carbapenemase complexed with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, Zhang, Z, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
8IWF
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Aspergillus niger Rha-2 and pNPR
分子名称: (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H.
登録日2023-03-29
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
6YOZ
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HiCel7B labelled with b-1,4-glucosyl cyclophellitol
分子名称: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-04-15
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
7O9N
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Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
分子名称: BICARBONATE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-16
公開日2022-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7QNC
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Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with THIP (gaboxadol), histamine and nanobody Nb25
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, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN5
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Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with nanobody Nb25
分子名称: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN7
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BU of 7qn7 by Molmil
Cryo-EM structure of human full-length extrasynaptic alpha4beta3delta GABA(A)R in complex with GABA, histamine and nanobody Nb25
分子名称: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
5X58
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BU of 5x58 by Molmil
Prefusion structure of SARS-CoV spike glycoprotein, conformation 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
登録日2017-02-15
公開日2017-05-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
7QND
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BU of 7qnd by Molmil
Cryo-EM structure of human full-length extrasynaptic beta3delta GABA(A)R in complex with THIP (gaboxadol), histamine and nanobody Nb25
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, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QNA
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BU of 7qna by Molmil
Cryo-EM structure of human full-length alpha4beta3gamma2 GABA(A)R in complex with GABA and nanobody Nb25
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, GAMMA-AMINO-BUTANOIC ACID, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QNB
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BU of 7qnb by Molmil
Cryo-EM structure of human full-length beta3gamma2 GABA(A)R in complex with GABA and nanobody Nb25
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, GAMMA-AMINO-BUTANOIC ACID, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN8
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BU of 7qn8 by Molmil
Cryo-EM structure of human full-length beta3delta GABA(A)R in complex with histamine and nanobody Nb25
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, Gamma-aminobutyric acid receptor subunit beta-3, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
7QN6
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BU of 7qn6 by Molmil
Cryo-EM structure of human full-length beta3delta GABA(A)R in complex with nanobody Nb25
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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R.
登録日2021-12-20
公開日2022-04-13
最終更新日2022-04-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
6YLA
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BU of 6yla by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
登録日2020-04-06
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
著者Fenalti, G.
登録日2018-11-26
公開日2019-05-15
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
6YJI
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Structure of FgCelDH7C
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, CHLORIDE ION, ...
著者Haddad Momeni, M, Fredslund, F, Berrin, J.G, Abou Hachem, M, Welner, D.H.
登録日2020-04-03
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs.
Nat Commun, 12, 2021
7OHE
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A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*CP*GP*CP*GP*TP*CP*GP*AP*CP*GP*CP*G)-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-10
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
7OHM
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A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*CP*GP*AP*(DH)P*GP*TP*CP*G)-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-11
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
7OHJ
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A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*CP*GP*AP*CP*GP*TP*CP*G)-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-11
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
7OGV
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BU of 7ogv by Molmil
A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine
分子名称: DNA (5'-D(*(P*GP*CP*GP*TP*(DH)P*GP*AP*CP*GP*CP*G-3')
著者Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M.
登録日2021-05-07
公開日2021-11-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
5X59
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BU of 5x59 by Molmil
Prefusion structure of MERS-CoV spike glycoprotein, three-fold symmetry
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein
著者Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
登録日2017-02-15
公開日2017-05-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
6NKN
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Time-resolved SFX structure of the PR intermediate of cytochrome c oxidase at room temperature
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Rousseau, D.L, Yeh, S.-R, Ishigami, I.
登録日2019-01-07
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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