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7K12
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BU of 7k12 by Molmil
ACMSD in complex with diflunisal
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CITRIC ACID, ...
Authors:Yang, Y, Liu, A.
Deposit date:2020-09-07
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
7K13
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BU of 7k13 by Molmil
ACMSD in complex with diflunisal derivative 14
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, 2-hydroxy-5-(thiophen-3-yl)benzoic acid, ZINC ION
Authors:Yang, Y, Liu, A.
Deposit date:2020-09-07
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan-Kynurenine Pathway.
J.Med.Chem., 64, 2021
7K9B
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BU of 7k9b by Molmil
Crystal structure of Bacillus halodurans OapB (native) at 1.2 A
Descriptor: CHLORIDE ION, OLE-associated protein B
Authors:Yang, Y, Breaker, R.R.
Deposit date:2020-09-29
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Structure of a bacterial OapB protein with its OLE RNA target gives insights into the architecture of the OLE ribonucleoprotein complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K9C
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BU of 7k9c by Molmil
Crystal structure of Bacillus halodurans OapB (iodine-derivative) at 1.0 A
Descriptor: IODIDE ION, OLE-associated protein B
Authors:Yang, Y, Breaker, R.R.
Deposit date:2020-09-29
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of a bacterial OapB protein with its OLE RNA target gives insights into the architecture of the OLE ribonucleoprotein complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KKV
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BU of 7kkv by Molmil
Crystal structure of Bacillus halodurans OapB in complex with its OLE RNA target (native, crystal form I)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Yang, Y, Breaker, R.R.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a bacterial OapB protein with its OLE RNA target gives insights into the architecture of the OLE ribonucleoprotein complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K9D
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BU of 7k9d by Molmil
Crystal structure of Bacillus halodurans OapB in complex with its OLE RNA target (crystal form I)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COBALT HEXAMMINE(III), ...
Authors:Yang, Y, Breaker, R.R.
Deposit date:2020-09-29
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Structure of a bacterial OapB protein with its OLE RNA target gives insights into the architecture of the OLE ribonucleoprotein complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K9E
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BU of 7k9e by Molmil
Crystal structure of Bacillus halodurans OapB in complex with its OLE RNA target (crystal form II)
Descriptor: OLE* RNA, OLE-associated protein B
Authors:Yang, Y, Breaker, R.R.
Deposit date:2020-09-29
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a bacterial OapB protein with its OLE RNA target gives insights into the architecture of the OLE ribonucleoprotein complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
6KCZ
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BU of 6kcz by Molmil
Solution structure of the ZnF-UBP domain of USP20/VDU2
Descriptor: Ubiquitin carboxyl-terminal hydrolase 20, ZINC ION
Authors:Yang, Y, Wen, Y, Zhang, N.
Deposit date:2019-06-30
Release date:2019-07-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional studies of USP20 ZnF-UBP domain by NMR.
Protein Sci., 28, 2019
8QN7
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BU of 8qn7 by Molmil
Amyloid-beta 40 type 1 filament from the leptomeninges of individual with Alzheimer's disease and cerebral amyloid angiopathy
Descriptor: Amyloid-beta A4 protein
Authors:Yang, Y, Murzin, A.S, Peak-Chew, S.Y, Franco, C, Newell, K.L, Ghetti, B, Goedert, M, Scheres, S.H.W.
Deposit date:2023-09-25
Release date:2023-12-13
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures of A beta 40 filaments from the leptomeninges of individuals with Alzheimer's disease and cerebral amyloid angiopathy.
Acta Neuropathol Commun, 11, 2023
8QN6
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BU of 8qn6 by Molmil
Amyloid-beta 40 type 2 filament from the leptomeninges of individual with Alzheimer's disease and cerebral amyloid angiopathy
Descriptor: Amyloid-beta A4 protein
Authors:Yang, Y, Murzin, A.S, Peak-Chew, S.Y, Franco, C, Newell, K.L, Ghetti, B, Goedert, M, Scheres, S.H.W.
Deposit date:2023-09-25
Release date:2023-12-13
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cryo-EM structures of A beta 40 filaments from the leptomeninges of individuals with Alzheimer's disease and cerebral amyloid angiopathy.
Acta Neuropathol Commun, 11, 2023
8A9L
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BU of 8a9l by Molmil
Cryo-EM structure of alpha-synuclein filaments from Parkinson's disease and dementia with Lewy bodies
Descriptor: Alpha-synuclein, Unknown fragment
Authors:Yang, Y, Shi, Y, Schweighauser, M, Zhang, X.J, Kotecha, A, Murzin, A.G, Garringer, H.J, Cullinane, P, Saito, Y, Foroud, T, Warner, T.T, Hasegawa, K, Vidal, R, Murayama, S, Revesz, T, Ghetti, B, Hasegawa, M, Lashley, T, Scheres, H.W.S, Goedert, M.
Deposit date:2022-06-28
Release date:2022-08-31
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Structures of alpha-synuclein filaments from human brains with Lewy pathology.
Nature, 610, 2022
6IR5
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BU of 6ir5 by Molmil
P domain of GII.3-TV24
Descriptor: VP1 Capsid protein
Authors:Yang, Y.
Deposit date:2018-11-10
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
6IS5
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BU of 6is5 by Molmil
P domain of GII.3-TV24 with A-tetrasaccharide complex
Descriptor: VP1 Capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yang, Y.
Deposit date:2018-11-15
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
7ZL9
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BU of 7zl9 by Molmil
Crystal structure of human GPCR Niacin receptor (HCA2)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ...
Authors:Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, FiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
Deposit date:2022-04-14
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
7ZLY
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BU of 7zly by Molmil
Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, OLEIC ACID
Authors:Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, FiBerto, J.F, Wu, L.J, Tong, J.H, Han, G.W, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
Deposit date:2022-04-17
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
6KZE
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BU of 6kze by Molmil
The crystal structue of PDE10A complexed with 4d
Descriptor: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B.
Deposit date:2019-09-24
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.50003481 Å)
Cite:Novel Potent and Highly Selective Benzoimidazole-based Phosphodiesterase 10 Inhibitors with Improved Solubility and Pharmacokinetic Properties for the Treatment of Pulmonary Arterial Hypertension
To Be Published
7XTT
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BU of 7xtt by Molmil
The structure of engineered TfCut S130A in complex with MHET
Descriptor: 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTS
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BU of 7xts by Molmil
The apo structure of the engineered TfCut S130A
Descriptor: SODIUM ION, alpha/beta hydrolase
Authors:Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTR
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BU of 7xtr by Molmil
The apo structure of the engineered TfCut
Descriptor: GLYCEROL, LITHIUM ION, SULFATE ION, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTW
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BU of 7xtw by Molmil
The structure of IsPETase in complex with MHET
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTU
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BU of 7xtu by Molmil
The structure of TfCut S130A
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTV
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BU of 7xtv by Molmil
The structure of MHET-bound TfCut S130A
Descriptor: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
6COW
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BU of 6cow by Molmil
CSP1
Descriptor: Competence-stimulating peptide type 1
Authors:Yang, Y.
Deposit date:2018-03-12
Release date:2018-08-29
Last modified:2018-09-19
Method:SOLUTION NMR
Cite:Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae.
Biochemistry, 57, 2018
6COT
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BU of 6cot by Molmil
CSP2-d10
Descriptor: Competence-stimulating peptide type 2
Authors:Yang, Y.
Deposit date:2018-03-12
Release date:2018-08-29
Last modified:2018-09-19
Method:SOLUTION NMR
Cite:Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae.
Biochemistry, 57, 2018
6COV
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BU of 6cov by Molmil
CSP2-l14
Descriptor: Competence-stimulating peptide type 2
Authors:Yang, Y.
Deposit date:2018-03-12
Release date:2018-08-29
Last modified:2018-09-19
Method:SOLUTION NMR
Cite:Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae.
Biochemistry, 57, 2018

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