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8HIB
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BU of 8hib by Molmil
The crystal structure of Pygo2-LDB1-SSBP2 triple complex
Descriptor: LIM domain-binding protein 1, Pygopus homolog 2, Single-stranded DNA-binding protein 2
Authors:Wang, H.Y, Yan, X.X, Xu, W.Q.
Deposit date:2022-11-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The crystal structure of Pygo2-LDB1-SSBP2 triple complex
To Be Published
6JPD
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BU of 6jpd by Molmil
Mouse receptor-interacting protein kinase 3 (RIP3) amyloid structure by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Wu, X.L, Hu, H, Zhang, J, Dong, X.Q, Wang, J, Schwieters, C, Wang, H.Y, Lu, J.X.
Deposit date:2019-03-26
Release date:2020-10-28
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:The amyloid structure of mouse RIPK3 (receptor interacting protein kinase 3) in cell necroptosis.
Nat Commun, 12, 2021
6IWV
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BU of 6iwv by Molmil
Crystal structure of a single strand DNA binding protein
Descriptor: Single-stranded DNA-binding protein 2
Authors:Wang, H.Y, Yan, X.X.
Deposit date:2018-12-07
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structure of the LUFS domain of human single-stranded DNA binding Protein 2 (SSBP2).
Protein Sci., 28, 2019
6JBZ
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BU of 6jbz by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: MoaD/ThiS family protein, Molybdenum cofactor biosynthesis protein E, SULFATE ION
Authors:Wang, H.Y, Liu, X.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
8K3K
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BU of 8k3k by Molmil
The crystal structure of nanobody Nb4 in complex with receptor binding domain (RBD) of BA.1 Spike protein
Descriptor: Nanobody Nb4, Spike protein S1
Authors:Wang, H.Y, Xu, W.Q.
Deposit date:2023-07-16
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
6LK5
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BU of 6lk5 by Molmil
MLKL mutant - T357ES358D
Descriptor: Mixed lineage kinase domain-like protein
Authors:Wang, H.Y, Li, S, Zhang, Y.
Deposit date:2019-12-18
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling.
Cell Death Dis, 12, 2021
8G60
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BU of 8g60 by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (CR state)
Descriptor: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
Deposit date:2023-02-14
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G5Z
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BU of 8g5z by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state)
Descriptor: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
Deposit date:2023-02-14
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G5Y
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BU of 8g5y by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (IC state)
Descriptor: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
Deposit date:2023-02-14
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.29 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G6J
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BU of 8g6j by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state 2)
Descriptor: (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone, (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 1,4-DIAMINOBUTANE, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
Deposit date:2023-02-15
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
8G61
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BU of 8g61 by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (AC state)
Descriptor: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
Deposit date:2023-02-14
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
5Y0G
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BU of 5y0g by Molmil
Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0X
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BU of 5y0x by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-3-((4-methoxynaphthalene)-1-sulfonamido)benzoic acid
Descriptor: 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y13
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BU of 5y13 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0F
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BU of 5y0f by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y12
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BU of 5y12 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
6JC0
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BU of 6jc0 by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: Putative molybdenum cofactor biosynthesis protein, Putative molybdenum cofactor biosynthesis protein D2 (MoaD2) / thiamine S
Authors:Liu, X, Wang, H.Y.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
8GLP
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BU of 8glp by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (Consensus LSU focused refined structure)
Descriptor: 1,4-DIAMINOBUTANE, 18S rRNA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Watson, Z.L, Altman, R.B, Blanchard, S.C.
Deposit date:2023-03-22
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (1.67 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
7DAC
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BU of 7dac by Molmil
Human RIPK3 amyloid fibril revealed by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X.
Deposit date:2020-10-16
Release date:2021-04-28
Method:SOLID-STATE NMR
Cite:The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C4O
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BU of 7c4o by Molmil
Solution structure of the Orange domain from human protein HES1
Descriptor: Transcription factor HES-1
Authors:Fan, J.S, Nayak, A, Swaminathan, K.
Deposit date:2020-05-18
Release date:2021-05-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Induction of Transcriptional Inhibitor Hairy and Enhancer of Split Homolog-1 and the Related Repression of Tumor-Suppressor Thioredoxin-Interacting Protein Are Important Components of Cell-Transformation Program Imposed by Oncogenic Kinase Nucleophosmin-Anaplastic Lymphoma Kinase.
Am J Pathol, 2022
6AUZ
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BU of 6auz by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV3
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BU of 6av3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUV
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BU of 6auv by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV1
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BU of 6av1 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV0
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BU of 6av0 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile
Descriptor: 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:LI, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017

 

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