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4P57
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BU of 4p57 by Molmil
MHC TCR peptide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Clayton, G.M, Crawford, F, Kappler, J.W.
Deposit date:2014-03-14
Release date:2014-07-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4P4R
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BU of 4p4r by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
Authors:Clayton, G.M, Crawford, F, Kappler, J.W.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
3LD8
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BU of 3ld8 by Molmil
Structure of JMJD6 and Fab Fragments
Descriptor: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ...
Authors:Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
Deposit date:2010-01-12
Release date:2010-08-04
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LDB
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BU of 3ldb by Molmil
Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment.
Descriptor: 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ...
Authors:Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
Deposit date:2010-01-12
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
7CM1
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BU of 7cm1 by Molmil
Neuraminidase from the Wuhan Asiatic toad influenza virus
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Wang, J.
Deposit date:2020-07-23
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Lattice-translocation defects in specific crystals of the catalytic head domain of influenza neuraminidase.
Acta Crystallogr D Struct Biol, 76, 2020
7V29
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BU of 7v29 by Molmil
Crystal structure of FGFR4 with a dual-warhead covalent inhhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-1-[3-(4-propanoylpiperazin-1-yl)propyl]-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]phenyl]propanamide, SULFATE ION
Authors:Chen, X.J, Jiang, L.Y, Dai, S.Y, Qu, L.Z, Chen, Y.H.
Deposit date:2021-08-07
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Structure-based design of a dual-warhead covalent inhibitor of FGFR4.
Commun Chem, 5, 2022
4KEG
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BU of 4keg by Molmil
Crystal Structure of MBP Fused Human SPLUNC1
Descriptor: MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein, octyl beta-D-glucopyranoside
Authors:Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G.
Deposit date:2013-04-25
Release date:2014-04-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Lipid Ligands of the SPLUNC1 Protein
To be Published
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
8HBB
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BU of 8hbb by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand III
Descriptor: CHLORIDE ION, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
Authors:Shang, G, Chen, Z.
Deposit date:2022-10-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HB2
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BU of 8hb2 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand II
Descriptor: 2-OXOGLUTARIC ACID, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
Authors:Shang, G, Chen, Z.
Deposit date:2022-10-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HAZ
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BU of 8haz by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand I
Descriptor: DNA N6-methyl adenine demethylase, SULFATE ION
Authors:Shang, G, Chen, Z.
Deposit date:2022-10-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
6JPJ
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BU of 6jpj by Molmil
Crystal structure of FGF401 in complex of FGFR4
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Zhou, Z, Chen, X, Chen, Y.
Deposit date:2019-03-27
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.638 Å)
Cite:Characterization of FGF401 as a reversible covalent inhibitor of fibroblast growth factor receptor 4.
Chem.Commun.(Camb.), 55, 2019
7E5E
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BU of 7e5e by Molmil
Crystal structure of GDP-bound GNAS in complex with the cyclic peptide inhibitor GD20
Descriptor: CHLORIDE ION, GD20, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Hu, Q, Dai, S, Shokat, K.M.
Deposit date:2021-02-18
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 185, 2022
7FJ2
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BU of 7fj2 by Molmil
Structure of FOXM1 homodimer bound to a palindromic DNA site
Descriptor: DNA (5'-D(*AP*CP*CP*GP*TP*AP*AP*AP*CP*AP*TP*GP*TP*TP*TP*AP*CP*GP*GP*T)-3'), Forkhead box protein M1
Authors:Dai, S.Y, Li, J, Zhang, H.J.
Deposit date:2021-08-02
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Mechanistic Insights into the Preference for Tandem Binding Sites in DNA Recognition by FOXM1.
J.Mol.Biol., 434, 2021
5ZOV
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BU of 5zov by Molmil
Inward-facing conformation of L-ascorbate transporter UlaA
Descriptor: ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC
Authors:Wang, J.W.
Deposit date:2018-04-16
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.333 Å)
Cite:Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism
Cell Discov, 4, 2018
6A58
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BU of 6a58 by Molmil
Structure of histone demethylase REF6
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
6A57
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BU of 6a57 by Molmil
Structure of histone demethylase REF6 complexed with DNA
Descriptor: DNA (5'-D(*CP*TP*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3'), GLYCEROL, ...
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
6A59
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BU of 6a59 by Molmil
Structure of histone demethylase REF6 at 1.8A
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
7D4B
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BU of 7d4b by Molmil
Crystal structure of 4-1BB in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wang, C.
Deposit date:2020-09-23
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7CZD
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BU of 7czd by Molmil
Crystal structure of PD-L1 in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Programmed cell death 1 ligand 1, ...
Authors:Wang, C.
Deposit date:2020-09-08
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
Descriptor: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2020-09-25
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
6L9K
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BU of 6l9k by Molmil
H2-Ld a1a2 complexed with A5 peptide
Descriptor: H2-Ld a1a2, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE
Authors:Wei, P.C, Yin, L.
Deposit date:2019-11-10
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer.
Proc.Natl.Acad.Sci.USA, 118, 2021
7D5O
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BU of 7d5o by Molmil
C-Src in complex with TAS-120
Descriptor: 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2020-09-27
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
6L6L
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BU of 6l6l by Molmil
Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements
Descriptor: DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ...
Authors:Jiang, L, Chen, Y.
Deposit date:2019-10-29
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019

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