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7MJI
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BU of 7mji by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 (focused refinement of RBD and VH ab8)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab8
著者Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
登録日2021-04-20
公開日2021-05-12
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7C3T
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BU of 7c3t by Molmil
Crystal structure of NE0047 (N66Q) mutant in complex with 8-azaguanine
分子名称: 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION
著者Gaded, V, Bitra, A, Singh, J, Anand, R.
登録日2020-05-14
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure guided mutagenesis reveals the substrate determinants of guanine deaminase.
J.Struct.Biol., 213, 2021
8E0Y
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BU of 8e0y by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with DAHP oxime, Pr(III), and Pi in unbound:(bound)2:other Conformations
分子名称: ACETATE ION, CITRATE ANION, DAHP Oxime, ...
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
8DRJ
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BU of 8drj by Molmil
Apo B2 dimer (H60/H100/H104) formed in the presence of Cu(II)
分子名称: HEME C, SULFATE ION, Soluble cytochrome b562
著者Choi, T.S, Tezcan, F.A.
登録日2022-07-21
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
7M6D
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BU of 7m6d by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibodies BG4-25 and CR3022
分子名称: BG4-25 Fab Heavy Chain, BG4-25 Fab Light Chain, CR3022 Fab Heavy Chain, ...
著者Barnes, C.O, Bjorkman, P.J.
登録日2021-03-25
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7CHA
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BU of 7cha by Molmil
Cryo-EM structure of P.aeruginosa MlaFEBD with AMPPNP
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, MlaD domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Zhou, C, Shi, H, Zhang, M, Huang, Y.
登録日2020-07-05
公開日2021-05-19
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insight into Phospholipid Transport by the MlaFEBD Complex from P. aeruginosa.
J.Mol.Biol., 433, 2021
7ML9
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BU of 7ml9 by Molmil
The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ...
著者Rydel, T.J, Zheng, M, Evdokimov, A.
登録日2021-04-27
公開日2021-05-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
6UGN
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BU of 6ugn by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-205
分子名称: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Supuran, C.T, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
7CK9
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BU of 7ck9 by Molmil
Crystal structure of Doxorubicin loaded human ferritin heavy chain
分子名称: CHLORIDE ION, Ferritin heavy chain, GLYCEROL, ...
著者Chen, X, Jiang, B, Yan, X, Fan, K.
登録日2020-07-16
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献A natural drug entry channel in the ferritin nanocage.
Nano Today, 35, 2020
7M5F
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BU of 7m5f by Molmil
Contact-dependent inhibition system from Serratia marcescens BWH57
分子名称: CdiI, MALONATE ION, Toxin CdiA
著者Michalska, K, Nutt, W, Stols, L, Jedrzejczak, R, Hayes, C.S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-03-23
公開日2021-05-12
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Contact-dependent inhibition system from Serratia marcescens
To Be Published
8DRM
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BU of 8drm by Molmil
Zn(II)-bound B2 dimer (H60/H100/H104) formed in Zn(II)//Cu(II) (M1 // M2) condition
分子名称: HEME C, Soluble cytochrome b562, ZINC ION
著者Choi, T.S, Tezcan, F.A.
登録日2022-07-21
公開日2022-10-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
8E0Z
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BU of 8e0z by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase unbound:(bound)2:unbound Conformations
分子名称: CHLORIDE ION, Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022
7MM1
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BU of 7mm1 by Molmil
PTP1B in complex with TCS401 by Native S-SAD at Room Temperature
分子名称: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Greisman, J.B, Dalton, K.M, Hekstra, D.R.
登録日2021-04-29
公開日2021-05-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
8JEY
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BU of 8jey by Molmil
Cryo-EM structure of alpha-synuclein pS87 fibril
分子名称: Alpha-synuclein
著者Xia, W.C, Sun, Y.P, Liu, C.
登録日2023-05-16
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures.
Nat Commun, 15, 2024
7C3U
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BU of 7c3u by Molmil
Crystal structure of NE0047 (N66A) mutant in complex with 8-azaguanine
分子名称: 1,2-ETHANEDIOL, 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ...
著者Gaded, V, Bitra, A, Singh, J, Anand, R.
登録日2020-05-14
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure guided mutagenesis reveals the substrate determinants of guanine deaminase.
J.Struct.Biol., 213, 2021
8QBC
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BU of 8qbc by Molmil
Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A
分子名称: ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Tinzl, M, Mittl, P.R.E, Hilvert, D.
登録日2023-08-24
公開日2023-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
8DRD
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BU of 8drd by Molmil
Ni(II)-bound B2 dimer (H60/H100/H104)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, HEME C, NICKEL (II) ION, ...
著者Choi, T.S, Tezcan, F.A.
登録日2022-07-20
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
7MJJ
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BU of 7mjj by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1)
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, Fab ab1 Heavy Chain, ...
著者Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
登録日2021-04-20
公開日2021-05-12
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7C8M
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BU of 7c8m by Molmil
Crystal structure of IscU wild-type
分子名称: FE2/S2 (INORGANIC) CLUSTER, Nitrogen-fixing NifU domain protein
著者Kunichika, K, Takahashi, Y, Fujishiro, T.
登録日2020-06-03
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The Structure of the Dimeric State of IscU Harboring Two Adjacent [2Fe-2S] Clusters Provides Mechanistic Insights into Cluster Conversion to [4Fe-4S].
Biochemistry, 60, 2021
7MJL
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BU of 7mjl by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (focused refinement of RBD and Fab ab1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, Fab ab1 Light Chain, ...
著者Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
登録日2021-04-20
公開日2021-05-12
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
8J7N
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BU of 8j7n by Molmil
The cryo-EM structure of Fe3+ induced alpha-syn fibril.
分子名称: Transmembrane protein 106B
著者Zhao, Q.Y, Tao, Y.Q, Yan, F, Liu, C, Li, D.
登録日2023-04-27
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The cryo-EM structure of PBB3 bound TMEM106B fibril.
To Be Published
7MJH
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BU of 7mjh by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8
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, Spike glycoprotein, ...
著者Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
登録日2021-04-20
公開日2021-05-12
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7C8N
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BU of 7c8n by Molmil
Crystal structure of IscU H106A variant
分子名称: FE2/S2 (INORGANIC) CLUSTER, Nitrogen-fixing NifU domain protein
著者Kunichika, K, Takahashi, Y, Fujishiro, T.
登録日2020-06-03
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Structure of the Dimeric State of IscU Harboring Two Adjacent [2Fe-2S] Clusters Provides Mechanistic Insights into Cluster Conversion to [4Fe-4S].
Biochemistry, 60, 2021
7CK8
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BU of 7ck8 by Molmil
Crystal structure of human ferritin heavy chain mutant C90S/C102S/C130S
分子名称: CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ...
著者Chen, X, Jiang, B, Yan, X, Fan, K.
登録日2020-07-16
公開日2021-05-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A natural drug entry channel in the ferritin nanocage.
Nano Today, 35, 2020
8E0U
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BU of 8e0u by Molmil
DAHP (3-deoxy-D-arabinoheptulosonate-7-phosphate) Synthase complexed with Sulfate in unbound:(bound)2:other conformations
分子名称: Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive, SULFATE ION
著者Berti, P.J, Junop, M.S, Grainger, R.
登録日2022-08-09
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
Biochemistry, 61, 2022

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件を2024-10-16に公開中

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