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5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
Descriptor: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Wang, C, Zhang, P, Dong, J.
Deposit date:2016-03-07
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8GRX
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BU of 8grx by Molmil
APOE4 receptor in complex with APOE4 NTD
Descriptor: Apolipoprotein E, Leukocyte immunoglobulin-like receptor subfamily A member 6
Authors:Zhou, J, Wang, Y, Huang, G, Shi, Y.
Deposit date:2022-09-02
Release date:2023-07-05
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:LilrB3 is a putative cell surface receptor of APOE4.
Cell Res., 33, 2023
7OYL
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BU of 7oyl by Molmil
Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F.
Deposit date:2021-06-24
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis.
Mbio, 13, 2022
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
Descriptor: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:Chao, A, DuPrez, K.T, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
8UAB
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BU of 8uab by Molmil
SARS-CoV-2 main protease (Mpro) complex with AC1115
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:DuPrez, K.T, Chao, A, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5, 2024
7T90
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BU of 7t90 by Molmil
Cryo-EM structure of ACh-bound M2R-Go signaling complex in S2 state
Descriptor: ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T8X
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BU of 7t8x by Molmil
Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state
Descriptor: ACETYLCHOLINE, Antibody fragment, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T96
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BU of 7t96 by Molmil
Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-18
Release date:2023-01-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7T94
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BU of 7t94 by Molmil
Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, ACETYLCHOLINE, Antibody fragment, ...
Authors:Xu, J, Wang, Q, Du, Y, Kobilka, B.K.
Deposit date:2021-12-17
Release date:2023-01-25
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural and dynamic insights into supra-physiological activation and allosteric modulation of a muscarinic acetylcholine receptor.
Nat Commun, 14, 2023
7ALL
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BU of 7all by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4)
Descriptor: Arylsulfatase, CALCIUM ION, IODIDE ION, ...
Authors:Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7AN1
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BU of 7an1 by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
Descriptor: Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2020-10-10
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANB
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BU of 7anb by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ...
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2020-10-11
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANA
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BU of 7ana by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ...
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2020-10-11
Release date:2021-11-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
8K31
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BU of 8k31 by Molmil
The complex of WRKY33 C terminal DBD and SIB1
Descriptor: Probable WRKY transcription factor 33, Sigma factor binding protein 1, chloroplastic, ...
Authors:Dong, X, Gong, Z, Hu, Y.F.
Deposit date:2023-07-14
Release date:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis for the regulation of plant transcription factor WRKY33 by the VQ protein SIB1.
Commun Biol, 7, 2024
4BJU
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BU of 4bju by Molmil
Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target
Descriptor: MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE
Authors:Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F.
Deposit date:2013-04-19
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target.
Biosci.Rep, 33, 2013
4BMA
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BU of 4bma by Molmil
structural of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase
Descriptor: GLYCEROL, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE
Authors:Fang, W, Raimi, O.G, HurtadoGuerrero, R, vanAalten, D.M.F.
Deposit date:2013-05-07
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Genetic and Structural Validation of Aspergillus Fumigatus Udp-N-Acetylglucosamine Pyrophosphorylase as an Antifungal Target.
Mol.Microbiol., 89, 2013
4EBZ
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BU of 4ebz by Molmil
Crystal structure of the ectodomain of a receptor like kinase
Descriptor: 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin elicitor receptor kinase 1, ...
Authors:Chai, J, Liu, T, Han, Z, She, J, Wang, J.
Deposit date:2012-03-26
Release date:2012-06-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Chitin-induced dimerization activates a plant immune receptor.
Science, 336, 2012
4EBY
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BU of 4eby by Molmil
Crystal structure of the ectodomain of a receptor like kinase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin elicitor receptor kinase 1, ...
Authors:Chai, J, Liu, T, Han, Z, She, J, Wang, J.
Deposit date:2012-03-25
Release date:2012-06-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Chitin-induced dimerization activates a plant immune receptor.
Science, 336, 2012
4DRA
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BU of 4dra by Molmil
Crystal structure of MHF complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Tao, Y, Niu, L, Teng, M.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:The structure of the FANCM-MHF complex reveals physical features for functional assembly
Nat Commun, 3, 2012
7OQD
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BU of 7oqd by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
Descriptor: 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2021-06-03
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7OZC
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BU of 7ozc by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3109_S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, Arylsulfatase A, CALCIUM ION
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZ8
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BU of 7oz8 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1918_S1_46)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, ACETATE ION, Choline-sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7P26
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BU of 7p26 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT4631_S1_15)
Descriptor: CALCIUM ION, POLYETHYLENE GLYCOL (N=34), Putative arylsulfatase, ...
Authors:Cartmell, A.
Deposit date:2021-07-04
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7P24
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BU of 7p24 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3177_S1_11)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-07-03
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OZA
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BU of 7oza by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3796_S1_16)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022

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