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7USA
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BU of 7usa by Molmil
Structure of the human coronavirus CCoV-HuPn-2018 spike glycoprotein with domain 0 in the swung out conformation
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Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-04-23
公開日2022-08-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022
7UBZ
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BU of 7ubz by Molmil
Chymotrypsin digested toxin/immunity complex for a T6SS lipase effector from E. cloacae
分子名称: Ankyrin repeat domain-containing protein, CITRATE ANION, GLYCEROL, ...
著者Cuthbert, B.J, Jensen, S.J, Goulding, C.W, Hayes, C.S.
登録日2022-03-15
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Toxin/immunity complex for a T6SS lipase effector from E. cloacae
To Be Published
7U0L
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BU of 7u0l by Molmil
Crystal structure of the CCoV-HuPn-2018 RBD (domain B) in complex with canine APN
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, Aminopeptidase N, ...
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-18
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022
8DZ9
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BU of 8dz9 by Molmil
Crystal Structure of SARS-CoV-2 Main protease G143S mutant in complex with Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Noske, G.D, Oliva, G, Godoy, A.S.
登録日2022-08-06
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.664 Å)
主引用文献Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8E1Y
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BU of 8e1y by Molmil
Crystal Structure of SARS-CoV-2 Main protease A193S mutant in complex with Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Noske, G.D, Oliva, G, Godoy, A.S.
登録日2022-08-11
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
7ZFM
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BU of 7zfm by Molmil
Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
著者Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
登録日2022-04-01
公開日2022-08-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop
SSRN, 2022
7SEH
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BU of 7seh by Molmil
Glucose-6-phosphate 1-dehydrogenase (K403QdLtL)
分子名称: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mathews, I.I, Garcia, A.A, Wakatsuki, S, Mochly-Rosen, D.
登録日2021-09-30
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical variants.
J.Biol.Chem., 298, 2022
7SEI
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BU of 7sei by Molmil
Glucose-6-phosphate 1-dehydrogenase (K403Q)
分子名称: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Mathews, I.I, Garcia, A.A, Wakatsuki, S, Mochly-Rosen, D.
登録日2021-09-30
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Stabilization of glucose-6-phosphate dehydrogenase oligomers enhances catalytic activity and stability of clinical variants.
J.Biol.Chem., 298, 2022
7V4B
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BU of 7v4b by Molmil
Heparin-induced alpha-synuclein fibrils polymorph 3
分子名称: Alpha-synuclein
著者Tao, Y.Q, Sun, Y.P, Liu, C, Li, D.
登録日2021-08-12
公開日2022-08-17
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Heparin-induced alpha-synuclein fibrils polymorph 3
To Be Published
7V4C
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BU of 7v4c by Molmil
Heparin-induced alpha-synuclein fibrils polymorph 4
分子名称: Alpha-synuclein
著者Tao, Y.Q, Sun, Y.P, Liu, C, Li, D.
登録日2021-08-12
公開日2022-08-17
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Heparin-induced alpha-synuclein fibrils polymorph 4
To Be Published
7V4A
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BU of 7v4a by Molmil
Heparin-induced alpha-synuclein fibrils polymorph 1
分子名称: Alpha-synuclein
著者Tao, Y.Q, Sun, Y.P, Liu, C, Li, D.
登録日2021-08-12
公開日2022-08-17
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Heparin-induced alpha-synuclein fibrils polymorph 1
To Be Published
7UZN
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BU of 7uzn by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP
分子名称: 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ...
著者Sheriff, S.
登録日2022-05-09
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.685 Å)
主引用文献Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
8A4L
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BU of 8a4l by Molmil
Lipidic alpha-synuclein fibril - polymorph L2A
分子名称: Alpha-synuclein
著者Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F.
登録日2022-06-12
公開日2022-08-17
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
7VO7
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BU of 7vo7 by Molmil
Crystal structure of trypsin in complex with Lima bean trypsin inhibitor at 2.25A resolution.
分子名称: Bowman-Birk type proteinase inhibitor, CALCIUM ION, CHLORIDE ION, ...
著者Ahmad, M.S, Akbar, Z, Choudhary, M.I.
登録日2021-10-12
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insight into the structural basis of the dual inhibitory mode of Lima bean (Phaseolus lunatus) serine protease inhibitor.
Proteins, 91, 2023
7XER
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BU of 7xer by Molmil
Structure of mTRPV2_Q525T
分子名称: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7YEP
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BU of 7yep by Molmil
2-APB bound state of mTRPV2
分子名称: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-07-06
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEM
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BU of 7xem by Molmil
Cholesterol bound state of mTRPV2
分子名称: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEO
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BU of 7xeo by Molmil
MbetaCD treated state of mTRPV2
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEV
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BU of 7xev by Molmil
Structure of mTRPV2_2-APB
分子名称: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEW
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BU of 7xew by Molmil
Structure of mTRPV2_Q525F
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEU
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BU of 7xeu by Molmil
Structure of mTRPV2_E2
分子名称: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
著者Su, N.
登録日2022-03-31
公開日2022-08-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7ZVC
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BU of 7zvc by Molmil
Second crystal form of the mature glutamic-class prolyl-endopeptidase neprosin at 1.85 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, GLY-GLY-GLY-GLY, ...
著者Rodriguez-Banqueri, A, Eckhard, U, Del Amo-Maestro, L, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
登録日2022-05-14
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022
7ZVA
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BU of 7zva by Molmil
Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C-terminal peptidase, ...
著者Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
登録日2022-05-14
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022
7ZU8
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Crystal Structure of the zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 2.05 A resolution in presence of the crystallophore Lu-Xo4.
分子名称: 12-oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
登録日2022-05-11
公開日2022-08-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022
7ZVB
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BU of 7zvb by Molmil
Crystal Structure of the mature form of the glutamic-class prolyl-endopeptidase neprosin at 2.35 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, TRIETHYLENE GLYCOL, ...
著者Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
登録日2022-05-14
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022

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