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3E66
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BU of 3e66 by Molmil
Crystal structure of the beta-finger domain of yeast Prp8
Descriptor: PRP8
Authors:Yang, K, Zhang, L, Xu, T, Heroux, A, Zhao, R.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the beta-finger domain of Prp8 reveals analogy to ribosomal proteins.
Proc.Natl.Acad.Sci.Usa, 105, 2008
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ...
Authors:Zhu, J, Xu, T, Feng, B, Liu, J.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
7FBK
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BU of 7fbk by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1
Authors:Zhu, J, Xu, T, Feng, B, Liu, J.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
7FI6
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BU of 7fi6 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
Descriptor: MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
Authors:Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
Deposit date:2021-07-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI5
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BU of 7fi5 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
Descriptor: GLYCEROL, MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
Authors:Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
Deposit date:2021-07-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI8
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BU of 7fi8 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
Descriptor: MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
Authors:Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
Deposit date:2021-07-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI7
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BU of 7fi7 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
Descriptor: MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
Authors:Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
Deposit date:2021-07-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
7FI9
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BU of 7fi9 by Molmil
Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
Descriptor: GLYCEROL, MHC class I polypeptide-related sequence A, NKG2-D type II integral membrane protein
Authors:Cai, W, Peng, S, Xu, T, Tian, Y, Li, Y, Liu, J.
Deposit date:2021-07-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of human MICA mutants in complex with natural killer cell receptor NKG2D
to be published
6IXJ
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BU of 6ixj by Molmil
The crystal structure of sulfoacetaldehyde reductase from Klebsiella oxytoca
Descriptor: 2-hydroxyethylsulfonic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sulfoacetaldehyde reductase
Authors:Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z.
Deposit date:2018-12-10
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biochemical and structural investigation of sulfoacetaldehyde reductase fromKlebsiella oxytoca.
Biochem. J., 476, 2019
6JKP
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BU of 6jkp by Molmil
Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense in complex with NAD+
Descriptor: Methanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z.
Deposit date:2019-03-01
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.008 Å)
Cite:Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense.
Biosci.Rep., 39, 2019
6JKO
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BU of 6jko by Molmil
Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense
Descriptor: Methanol dehydrogenase, ZINC ION
Authors:Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z.
Deposit date:2019-03-01
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense.
Biosci.Rep., 39, 2019
7WNH
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BU of 7wnh by Molmil
Crystal structure of Nurr1 binding to NBRE
Descriptor: DNA (5'-D(*CP*CP*GP*AP*AP*AP*AP*GP*GP*TP*CP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*GP*AP*CP*CP*TP*TP*TP*TP*CP*GP*G)-3'), Nuclear receptor subfamily 4 group A member 2, ...
Authors:Zhao, M, Xu, T, Wang, N, Guo, Y, Liu, J.
Deposit date:2022-01-18
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Integrative analysis reveals structural basis for transcription activation of Nurr1 and Nurr1-RXR alpha heterodimer.
Proc.Natl.Acad.Sci.USA, 119, 2022
8HQU
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BU of 8hqu by Molmil
Crystal structure of the major sperm protein domain of SCS2 from saccharomyces cerevisiae
Descriptor: Vesicle-associated membrane protein-associated protein SCS2
Authors:Wang, C.C.
Deposit date:2022-12-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the major sperm protein domain of SCS2 from saccharomyces cerevisiae
To Be Published
7M74
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BU of 7m74 by Molmil
ATP-bound AMP-activated protein kinase
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K.
Deposit date:2021-03-26
Release date:2021-12-15
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
5UF7
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BU of 5uf7 by Molmil
CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN
Descriptor: Protein unc-13 homolog A
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2017-01-03
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
5UE8
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BU of 5ue8 by Molmil
The crystal structure of Munc13-1 C1C2BMUN domain
Descriptor: CHLORIDE ION, Protein unc-13 homolog A, ZINC ION
Authors:Tomchick, D.R, Rizo, J, Xu, J.
Deposit date:2016-12-29
Release date:2017-02-15
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
6WNH
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BU of 6wnh by Molmil
Menin bound to inhibitor M-808
Descriptor: Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate
Authors:Stuckey, J.A.
Deposit date:2020-04-22
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
6E1A
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BU of 6e1a by Molmil
Menin bound to M-89
Descriptor: (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate
Authors:Stuckey, J.A.
Deposit date:2018-07-09
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
5GMP
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BU of 5gmp by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
Descriptor: Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-14
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
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
5IKK
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BU of 5ikk by Molmil
Structure of the histone deacetylase Clr3
Descriptor: 1,2-ETHANEDIOL, Histone deacetylase clr3, MAGNESIUM ION, ...
Authors:Brugger, C, Schalch, T.
Deposit date:2016-03-03
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules.
Mol.Cell, 62, 2016
5IKF
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BU of 5ikf by Molmil
Crystal structure of the C-terminal domain of the Mit1 nucleosome remodeler in complex with Clr1
Descriptor: CHLORIDE ION, Chromatin remodeling factor mit1, Cryptic loci regulator protein 1, ...
Authors:Brugger, C, Schalch, T.
Deposit date:2016-03-03
Release date:2016-04-20
Last modified:2016-05-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules.
Mol.Cell, 62, 2016
5IKJ
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BU of 5ikj by Molmil
Structure of Clr2 bound to the Clr1 C-terminus
Descriptor: CHLORIDE ION, Cryptic loci regulator 2, Cryptic loci regulator protein 1, ...
Authors:Pfister, Y, Schalch, T.
Deposit date:2016-03-03
Release date:2016-04-20
Last modified:2016-05-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules.
Mol.Cell, 62, 2016

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