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9MYZ
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BU of 9myz by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(2-aminoethyl)phenol
Descriptor: (2M)-5-(2-aminoethyl)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)phenol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2025-01-22
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Design and synthesis of 7-aryl-6-fluoro-2-aminoquinolines as potent and highly selective human neuronal nitric oxide synthase inhibitors
To Be Published
9MZ0
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BU of 9mz0 by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound 7-(3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl)-6-fluoro-4-methylquinolin-2-amine
Descriptor: (7P)-7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-6-fluoro-4-methylquinolin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2025-01-22
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design and synthesis of 7-aryl-6-fluoro-2-aminoquinolines as potent and highly selective human neuronal nitric oxide synthase inhibitors
To Be Published
9MZ1
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BU of 9mz1 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound with 7-(3-aminomethyl)phenyl-6-fluoro-4-methylquinoin-2-amine
Descriptor: (7P)-7-[3-(aminomethyl)phenyl]-6-fluoro-4-methylquinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2025-01-22
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and synthesis of 7-aryl-6-fluoro-2-aminoquinolines as potent and highly selective human neuronal nitric oxide synthase inhibitors
To Be Published
9MZ2
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BU of 9mz2 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound with 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol
Descriptor: (2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2025-01-22
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Design and synthesis of 7-aryl-6-fluoro-2-aminoquinolines as potent and highly selective human neuronal nitric oxide synthase inhibitors
To Be Published
9MZ3
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BU of 9mz3 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(2-aminoethyl)phenol
Descriptor: (2M)-5-(2-aminoethyl)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)phenol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2025-01-22
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design and synthesis of 7-aryl-6-fluoro-2-aminoquinolines as potent and highly selective human neuronal nitric oxide synthase inhibitors
To Be Published
9MZ4
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BU of 9mz4 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound 7-(3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl)-6-fluoro-4-methylquinolin-2-amine
Descriptor: (7P)-7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-6-fluoro-4-methylquinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2025-01-22
Release date:2025-12-03
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design and synthesis of 7-aryl-6-fluoro-2-aminoquinolines as potent and highly selective human neuronal nitric oxide synthase inhibitors
To Be Published
9N5P
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BU of 9n5p by Molmil
CRYSTAL STRUCTURE OF HUMAN IGG2 FC FRAGMENT-FC-GAMMA RECEPTOR IIA COMPLEX H131 VARIANT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 1 of Immunoglobulin heavy constant gamma 2, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2025-02-04
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Cross-species analysis of FcgRIIa/b (CD32a/b) polymorphisms at position 131: structural and functional insights into the mechanism of IgG- mediated phagocytosis in human and macaque.
Front Immunol, 2025
9NAZ
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BU of 9naz by Molmil
Structure of SARS-CoV-2 NSP14 bound to N-((4-vinylthiazol-2-yl)methyl)-1H-pyrazole-3-carboxamide
Descriptor: Guanine-N7 methyltransferase nsp14, N-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide, PHOSPHATE ION, ...
Authors:Coker, J.A, Sun, R, Polzer, P.M, Jung, J, Stauffer, S.R.
Deposit date:2025-02-13
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Development of NSP14 Exonuclease Inhibitors Confounded by Batch-to-Batch Variability
Biorxiv, 2025
9NFP
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BU of 9nfp by Molmil
Structure of SARS-CoV-2 NSP14 bound to N-((4-cyclopropylthiazol-2-yl)methyl)-1H-pyrazole-3-carboxamide
Descriptor: Guanine-N7 methyltransferase nsp14, N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide, PHOSPHATE ION, ...
Authors:Coker, J.A, Sun, R, Polzer, P.M, Jung, J, Stauffer, S.R.
Deposit date:2025-02-21
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Development of NSP14 Exonuclease Inhibitors Confounded by Batch-to-Batch Variability
Biorxiv, 2025
9NHA
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BU of 9nha by Molmil
Structure of SARS-CoV-2 NSP14 bound to N-((4-isopropylthiazol-2-yl)methyl)-1H-pyrazole-3-carboxamide
Descriptor: Guanine-N7 methyltransferase nsp14, N-{[4-(propan-2-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrazole-3-carboxamide, PHOSPHATE ION, ...
Authors:Coker, J.A, Sun, R, Polzer, P.M, Jung, J, Stauffer, S.R.
Deposit date:2025-02-24
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Development of NSP14 Exonuclease Inhibitors Confounded by Batch-to-Batch Variability
Biorxiv, 2025
9NHU
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BU of 9nhu by Molmil
Structure of SARS-CoV-2 NSP14 bound to 5-(((cyclopropylmethyl)amino)methyl)-N-((4-cyclopropylthiazol-2-yl)methyl)-1H-pyrazole-3-carboxamide
Descriptor: 5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide, Guanine-N7 methyltransferase nsp14, PHOSPHATE ION, ...
Authors:Coker, J.A, Sun, R, Polzer, P.M, Jung, J, Stauffer, S.R.
Deposit date:2025-02-25
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Development of NSP14 Exonuclease Inhibitors Confounded by Batch-to-Batch Variability
Biorxiv, 2025
9NIO
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BU of 9nio by Molmil
SARS-CoV-2 NSP14 bound to N-((2-ethynylthiazol-4-yl)methyl)-1H-pyrazole-3-carboxamide
Descriptor: Guanine-N7 methyltransferase nsp14, N-[(2-ethynyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide, PHOSPHATE ION, ...
Authors:Coker, J.A, Sun, R, Polzer, P.M, Jung, J, Stauffer, S.R.
Deposit date:2025-02-26
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Development of NSP14 Exonuclease Inhibitors Confounded by Batch-to-Batch Variability
Biorxiv, 2025
9NJG
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BU of 9njg by Molmil
Structure of SARS-CoV-2 NSP14 bound to N-((4-cyclopropylthiazol-2-yl)methyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
Descriptor: Guanine-N7 methyltransferase nsp14, N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, PHOSPHATE ION, ...
Authors:Coker, J.A, Sun, R, Polzer, P.M, Jung, J, Stauffer, S.R.
Deposit date:2025-02-27
Release date:2025-12-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Development of NSP14 Exonuclease Inhibitors Confounded by Batch-to-Batch Variability
Biorxiv, 2025
9NK6
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BU of 9nk6 by Molmil
Thermothelomyces thermophilus SAM complex closed conformation
Descriptor: ERGOSTEROL, Sam35, Sam37, ...
Authors:Diederichs, K, Botos, I, Buchanan, S.K.
Deposit date:2025-02-28
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:The dynamic lateral gate of the mitochondrial beta-barrel biogenesis machinery is blocked by darobactin A.
Nat Commun, 2025
9NK7
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BU of 9nk7 by Molmil
Thermothelomyces thermophilus SAM complex open conformation
Descriptor: ERGOSTEROL, Sam35, Sam37, ...
Authors:Diederichs, K, Botos, I, Buchanan, S.K.
Deposit date:2025-02-28
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:The dynamic lateral gate of the mitochondrial beta-barrel biogenesis machinery is blocked by darobactin A.
Nat Commun, 2025
9NK8
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BU of 9nk8 by Molmil
Thermothelomyces thermophilus SAM complex bound to darobactin A
Descriptor: ERGOSTEROL, Sam35, Sam37, ...
Authors:Diederichs, K, Botos, I, Buchanan, S.K.
Deposit date:2025-02-28
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The dynamic lateral gate of the mitochondrial beta-barrel biogenesis machinery is blocked by darobactin A.
Nat Commun, 2025
9NRX
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BU of 9nrx by Molmil
Venezuelan Equine Encephalitis Virus in complex with the single domain antibody V2B3
Descriptor: E1 envelope glycoprotein, E2 envelope glycoprotein, Single domain antibody (nanobody) V2B3
Authors:Pletnev, S, Kwong, P.D, Zhou, T.
Deposit date:2025-03-14
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Demonstration of in vivo efficacy, epitope identification, and breadth of two anti-alphavirus bispecific single domain antibodies
To Be Published
9NRY
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BU of 9nry by Molmil
Venezuelan Equine Encephalitis Virus in complex with the single domain antibody V2C3
Descriptor: E1 envelope glycoprotein, E2 envelope glycoprotein, single domain antibody (nanobody) V2C3
Authors:Pletnev, S, Kwong, P.D, Zhou, T.
Deposit date:2025-03-14
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Demonstration of in vivo efficacy, epitope identification, and breadth of two anti-alphavirus bispecific single domain antibodies
To Be Published
9NRZ
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BU of 9nrz by Molmil
Venezuelan Equine Encephalitis Virus in complex with the single domain antibody V3A8f
Descriptor: E1 envelope glycoprotein, E2 envelope glycoprotein, Single domain antibody (nanobody) V3A8f
Authors:Pletnev, S, Kwong, P.D, Zhou, T.
Deposit date:2025-03-14
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Demonstration of in vivo efficacy, epitope identification, and breadth of two anti-alphavirus bispecific single domain antibodies
To Be Published
9OFO
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BU of 9ofo by Molmil
HCoV-229E S2P bound by three DH1533 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1533 FAB heavy chain, ...
Authors:Wrapp, D.
Deposit date:2025-04-30
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:A potently neutralizing human antibody induces movement of the HCoV-229E receptor binding domain
To Be Published
9OFP
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BU of 9ofp by Molmil
HCoV-229E S2P bound by two DH1533 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1533 heavy chain, ...
Authors:Wrapp, D.
Deposit date:2025-04-30
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:A potently neutralizing human antibody induces movement of the HCoV-229E receptor binding domain
To Be Published
9OFQ
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BU of 9ofq by Molmil
HCoV-229E S2P bound by one DH1533 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1533 FAB heavy chain, ...
Authors:Wrapp, D.
Deposit date:2025-04-30
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:A potently neutralizing human antibody induces movement of the HCoV-229E receptor binding domain
To Be Published
9OIC
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BU of 9oic by Molmil
Structure of shaker-IR-I384R
Descriptor: POTASSIUM ION, Potassium voltage-gated channel protein Shaker
Authors:Liu, Y, Contreras, G.F.
Deposit date:2025-05-06
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Closed state structure of the pore revealed by uncoupled Shaker K + channel.
Nat Commun, 16, 2025
9OL5
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BU of 9ol5 by Molmil
Rabbit Ryanodine Receptor 1: Atorvastatin Bound Closed Conformation
Descriptor: 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ...
Authors:Molinarolo, S.M, Van Petegem, F.
Deposit date:2025-05-12
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Cryo-EM Structure of Ryanodine Receptor 1: Drug Bound Closed Conformation
To Be Published
9OL6
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BU of 9ol6 by Molmil
Rabbit Ryanodine Receptor 1: DMSO Control Closed Conformation
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Molinarolo, S.M, Van Petegem, F.
Deposit date:2025-05-12
Release date:2025-12-03
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Cryo-electron microscopy reveals sequential binding and activation of Ryanodine Receptors by statin triplets.
Nat Commun, 2025

245663

數據於2025-12-03公開中

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