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7K3T
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BU of 7k3t by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-13
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
9C5S
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BU of 9c5s by Molmil
Disulfide-linked, antiparallel p53-derived peptide dimer (CV1)
分子名称: Cellular tumor antigen p53, SULFATE ION
著者Vithanage, N, Kreitler, D.K, DiGiorno, M.C, Victorio, C.G, Sawyer, N, Outlaw, V.K.
登録日2024-06-06
公開日2024-06-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Structural Characterization of Disulfide-Linked p53-Derived Peptide Dimers.
Res Sq, 2024
4GWT
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BU of 4gwt by Molmil
Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid
分子名称: (2S)-2-hydroxybutanedioic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T.
登録日2012-09-03
公開日2013-10-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain.
Acta Crystallogr.,Sect.D, 69, 2013
8GDW
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BU of 8gdw by Molmil
Crystal structure of Domain Related to Iron (DRI) from cyanobacteria
分子名称: Ssr1698 protein, ZINC ION
著者Kumaran, D, Grosjean, N, Blaby, E.C.
登録日2023-03-06
公開日2024-03-13
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
8GF4
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BU of 8gf4 by Molmil
Crystal structure of Domain Related to Iron (DRI) in complex with heme
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Ssr1698 protein, ZINC ION
著者Kumaran, D, Blaby, E.C.
登録日2023-03-07
公開日2024-03-13
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
8GBK
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BU of 8gbk by Molmil
Dri1 hemoprotein variant H79A-R90A with a zinc-mirror heme site
分子名称: HEME B/C, Ssr1698 protein
著者Yee, E.F, Blaby-Haas, C.
登録日2023-02-26
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
4GWV
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BU of 4gwv by Molmil
Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate
分子名称: CITRATE ANION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T.
登録日2012-09-03
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain.
Acta Crystallogr.,Sect.D, 69, 2013
7U1B
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BU of 7u1b by Molmil
Crystal structure of EstG in complex with tantalum cluster
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, Beta-lactamase domain-containing protein, ...
著者Chen, Z, Gabelli, S.B.
登録日2022-02-20
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7U1C
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BU of 7u1c by Molmil
Structure of EstG crystalized with SO4 and Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ...
著者Gabelli, S.B, Chen, Z.
登録日2022-02-20
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7UDA
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BU of 7uda by Molmil
Structure of the EstG
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION
著者Chen, Z, Gabelli, S.B.
登録日2022-03-18
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
8FM6
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BU of 8fm6 by Molmil
Dri1 hemoprotein variant H21A with a zinc-mirror heme site
分子名称: HEME B/C, Ssr1698 protein
著者Yee, E.F, Blaby-Haas, C.
登録日2022-12-22
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
6PRL
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BU of 6prl by Molmil
Assembly of VIQKI P5(beta-L-homoproline) with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
分子名称: Fusion glycoprotein F0
著者Outlaw, V.K, Gellman, S.H.
登録日2019-07-10
公開日2020-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein.
Acs Infect Dis., 6, 2020
6PYQ
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BU of 6pyq by Molmil
Assembly of VIQKI D455(beta-L-homoaspartic acid)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
分子名称: Fusion glycoprotein F1, synthetic peptide derived from Fusion glycoprotein F1
著者Outlaw, V.K, Gellman, S.H.
登録日2019-07-30
公開日2020-08-05
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein.
Acs Infect Dis., 6, 2020
6PZ6
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BU of 6pz6 by Molmil
Co-assembly of VIQKI D452(beta-L-homoaspartic acid) with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
分子名称: Fusion glycoprotein F1, VIQKI D4(beta-L-homoaspartic acid) synthetic peptid derived from Fusion glycoprotein F1e
著者Outlaw, V.K, Gellman, S.H.
登録日2019-07-31
公開日2020-08-05
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein.
Acs Infect Dis., 6, 2020
6O4M
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BU of 6o4m by Molmil
Racemic melittin
分子名称: D-Melittin, Melittin, SULFATE ION
著者Kurgan, K.W, Bingman, C.A, Gellman, S.H, Forest, K.T.
登録日2019-02-28
公開日2019-05-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Retention of Native Quaternary Structure in Racemic Melittin Crystals.
J.Am.Chem.Soc., 141, 2019
6V3V
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BU of 6v3v by Molmil
Assembly of VIQKI I456(beta-L-homoisoleucine)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
分子名称: Fusion glycoprotein F1
著者Outlaw, V.K, Gellman, S.H.
登録日2019-11-26
公開日2020-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein.
Acs Infect Dis., 6, 2020
6VAS
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BU of 6vas by Molmil
Assembly of VIQKI I454(beta-L-homoisoleucine)with human parainfluenza virus type 3 (HPIV3) fusion glycoprotein N-terminal heptad repeat domain
分子名称: Fusion glycoprotein F0
著者Outlaw, V.K, Gellman, S.H.
登録日2019-12-17
公開日2020-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Effects of Single alpha-to-beta Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein.
Acs Infect Dis., 6, 2020
8G83
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BU of 8g83 by Molmil
Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain
分子名称: NAD(+) hydrolase AbTIR
著者Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A.
登録日2023-02-17
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations.
J.Biol.Chem., 299, 2023
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件を2024-10-30に公開中

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