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8JGQ
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BU of 8jgq by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with P5
分子名称: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION, ...
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGO
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BU of 8jgo by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase
分子名称: Exopolyphosphatase, MAGNESIUM ION, SULFATE ION
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
8JGP
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BU of 8jgp by Molmil
Crystal structure of Deinococcus radiodurans exopolyphosphatase complexed with pyrophosphate
分子名称: Exopolyphosphatase, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Zhao, Y, Dai, S.
登録日2023-05-21
公開日2024-05-15
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Adv Sci, 11, 2024
6Z7H
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BU of 6z7h by Molmil
Structure of CTX-M-15 E166Q mutant crystallised in the presence of enmetazobactam (AAI101)
分子名称: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-31
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
6Z7J
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BU of 6z7j by Molmil
Structure of CTX-M-15 crystallised in the presence of enmetazobactam (AAI101)
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-31
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
6Z7I
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BU of 6z7i by Molmil
Crystal structure of CTX-M-15 E166Q mutant apoenzyme
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-31
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
6Z7K
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BU of 6z7k by Molmil
Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam
分子名称: (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid, Beta-lactamase, CHLORIDE ION, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-31
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
7NX6
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BU of 7nx6 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXA
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BU of 7nxa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX7
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BU of 7nx7 by Molmil
Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXB
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BU of 7nxb by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX8
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BU of 7nx8 by Molmil
Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXC
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BU of 7nxc by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NX9
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BU of 7nx9 by Molmil
Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
6WTE
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BU of 6wte by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound
分子名称: 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ...
著者Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
登録日2020-05-02
公開日2020-12-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
6WTF
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BU of 6wtf by Molmil
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound
分子名称: COBALAMIN, IRON/SULFUR CLUSTER, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, ...
著者Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J.
登録日2020-05-02
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for non-radical catalysis by TsrM, a radical SAM methylase.
Nat.Chem.Biol., 17, 2021
6WG9
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BU of 6wg9 by Molmil
Crystal structure of tetracycline destructase Tet(X7)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Tetracycline destructase Tet(X7)
著者Kumar, H, Tolia, N.H.
登録日2020-04-05
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Tetracycline-inactivating enzymes from environmental, human commensal, and pathogenic bacteria cause broad-spectrum tetracycline resistance.
Commun Biol, 3, 2020
4KTC
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BU of 4ktc by Molmil
NS3/NS4A protease with inhibitor
分子名称: (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ...
著者Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J.
登録日2013-05-20
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
7VDE
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BU of 7vde by Molmil
3.6 A structure of the human hemoglobin
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Fan, H.C, Zhang, Y, Sun, F.
登録日2021-09-06
公開日2021-12-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A cryo-electron microscopy support film formed by 2D crystals of hydrophobin HFBI.
Nat Commun, 12, 2021
7VDA
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BU of 7vda by Molmil
2.26 A structure of the glutamate dehydrogenase
分子名称: Glutamate dehydrogenase 1, mitochondrial
著者Fan, H.C, Zhang, Y, Sun, F.
登録日2021-09-06
公開日2021-12-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献A cryo-electron microscopy support film formed by 2D crystals of hydrophobin HFBI.
Nat Commun, 12, 2021
7VDC
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BU of 7vdc by Molmil
3.28 A structure of the rabbit muscle aldolase
分子名称: Fructose-bisphosphate aldolase A
著者Fan, H.C, Zhang, Y, Sun, F.
登録日2021-09-06
公開日2021-12-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献A cryo-electron microscopy support film formed by 2D crystals of hydrophobin HFBI.
Nat Commun, 12, 2021
7VD8
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BU of 7vd8 by Molmil
1.96 A structure of human apoferritin obtained from Talos Arctica microscope
分子名称: Ferritin heavy chain, SODIUM ION, ZINC ION
著者Fan, H.C, Zhang, Y, Sun, F.
登録日2021-09-06
公開日2021-12-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献A cryo-electron microscopy support film formed by 2D crystals of hydrophobin HFBI.
Nat Commun, 12, 2021

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