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5JH3
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BU of 5jh3 by Molmil
Human cathepsin K mutant C25S
分子名称: ACETATE ION, CHLORIDE ION, Cathepsin K, ...
著者Novinec, M, Korenc, M, Lenarcic, B.
登録日2016-04-20
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An allosteric site enables fine-tuning of cathepsin K by diverse effectors.
FEBS Lett., 590, 2016
5Y5L
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BU of 5y5l by Molmil
Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the absence of NADH (resting state)
分子名称: NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
6MH2
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BU of 6mh2 by Molmil
Structure of Herceptin Fab without antigen
分子名称: Herceptin Fab arm heavy chain, Herceptin Fab arm light chain
著者Luthra, A, Langley, D.B, Christie, M, Christ, D.
登録日2018-09-17
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human Antibody Bispecifics through Phage Display Selection.
Biochemistry, 58, 2019
5BXL
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BU of 5bxl by Molmil
Yeast 20S proteasome beta2-G170A mutant
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2015-06-09
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Defective immuno- and thymoproteasome assembly causes severe immunodeficiency.
Sci Rep, 8, 2018
8GB6
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BU of 8gb6 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 21B6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 21B6 Heavy chain, 21B6 Light chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB7
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 20A7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, 20A7 Light chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB8
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BU of 8gb8 by Molmil
Crystal structure of SARS-CoV-2 BA.2 receptor binding domain in complex with neutralizing antibody 20A7
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
7NT1
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Crystal structure of SARS CoV2 main protease in complex with FSP007
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
著者Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
登録日2021-03-08
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NT2
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BU of 7nt2 by Molmil
Crystal structure of SARS CoV2 main protease in complex with FSP006
分子名称: 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
登録日2021-03-08
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.145 Å)
主引用文献Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
8GB5
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BU of 8gb5 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 25F9
分子名称: 25F9 Heavy chain, 25F9 Light chain, BICINE, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2023-02-24
公開日2023-05-24
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
1FKQ
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BU of 1fkq by Molmil
RECOMBINANT GOAT ALPHA-LACTALBUMIN T29V
分子名称: ALPHA-LACTALBUMIN, CALCIUM ION
著者Horii, K, Matsushima, M, Tsumoto, K, Kumagai, I.
登録日2000-08-10
公開日2001-02-14
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Contribution of Thr29 to the thermodynamic stability of goat alpha-lactalbumin as determined by experimental and theoretical approaches.
Proteins, 45, 2001
1FN8
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BU of 1fn8 by Molmil
FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION
分子名称: GLY-ALA-ARG, GLYCEROL, SULFATE ION, ...
著者Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S.
登録日2000-08-21
公開日2001-02-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
4QOX
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BU of 4qox by Molmil
Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500
分子名称: 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calcium-dependent protein kinase 4, MAGNESIUM ION
著者Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC)
登録日2014-06-20
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.748 Å)
主引用文献Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500
TO BE PUBLISHED
8GD0
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BU of 8gd0 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-070-A6
分子名称: (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Nguyen, D.N, Pazgier, M.
登録日2023-03-03
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GJT
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BU of 8gjt by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-116-D1
分子名称: (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Nguyen, D.N, Pazgier, M.
登録日2023-03-16
公開日2023-06-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD1
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Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-092
分子名称: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Nguyen, D.N, Pazgier, M.
登録日2023-03-03
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
5Y5I
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BU of 5y5i by Molmil
Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data
分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
著者Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
8GCZ
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BU of 8gcz by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-090
分子名称: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Nguyen, D.N, Tolbert, W.D, Pazgier, M.
登録日2023-03-03
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD5
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BU of 8gd5 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-102
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ...
著者Tolbert, W.D, Nguyen, D.N, Pazgier, M.
登録日2023-03-03
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
1FMF
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BU of 1fmf by Molmil
REFINED SOLUTION STRUCTURE OF THE (13C,15N-LABELED) B12-BINDING SUBUNIT OF GLUTAMATE MUTASE FROM CLOSTRIDIUM TETANOMORPHUM
分子名称: METHYLASPARTATE MUTASE S CHAIN
著者Hoffmann, B, Konrat, R, Tollinger, M, Huhta, M, Marsh, E.N.G, Kraeutler, B.
登録日2000-08-17
公開日2002-02-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A protein pre-organized to trap the nucleotide moiety of coenzyme B(12): refined solution structure of the B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum.
Chembiochem, 2, 2001
8GD3
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BU of 8gd3 by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101
分子名称: (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Nguyen, D.N, Pazgier, M.
登録日2023-03-03
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
5MMX
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BU of 5mmx by Molmil
ABA RECEPTOR FROM CITRUS, CSPYL1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CSPYL1_ABA
著者Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M.
登録日2016-12-12
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.882 Å)
主引用文献Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
4QMD
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BU of 4qmd by Molmil
Crystal structure of human envoplakin plakin repeat domain
分子名称: Envoplakin
著者Mohammed, F, Al-Jassar, C, White, S.A, Fogl, C, Jeeves, M, Knowles, T.J, Odinstova, E, Rodriguez-Zamora, P, Overduin, M, Chidgey, M.
登録日2014-06-16
公開日2015-07-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Mechanism of intermediate filament recognition by plakin repeat domains revealed by envoplakin targeting of vimentin.
Nat Commun, 7, 2016
8GTU
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BU of 8gtu by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Clidinium
分子名称: Putative amino acid-binding periplasmic ABC transporter protein, [(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
著者Lonare, S, Sharma, M, Sharma, A.K.
登録日2022-09-08
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
5BXN
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BU of 5bxn by Molmil
Yeast 20S proteasome beta2-G170A mutant in complex with Bortezomib
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
著者Huber, E.M, Groll, M.
登録日2015-06-09
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Defective immuno- and thymoproteasome assembly causes severe immunodeficiency.
Sci Rep, 8, 2018

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