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3DK7
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BU of 3dk7 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Descriptor: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
Authors:Lewis, H.A.
Deposit date:2008-06-24
Release date:2008-07-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
3DK6
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BU of 3dk6 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Descriptor: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Lewis, H.A.
Deposit date:2008-06-24
Release date:2008-07-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
8JLV
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BU of 8jlv by Molmil
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
Descriptor: AB hydrolase-1 domain-containing protein
Authors:Xiang, L, Wang, M, Zhang, G, Zhou, J.
Deposit date:2023-06-02
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.998636 Å)
Cite:Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
2FDB
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BU of 2fdb by Molmil
Crystal Structure of Fibroblast growth factor (FGF)8b in complex with FGF Receptor (FGFR) 2c
Descriptor: Fibroblast growth factor receptor 2, fibroblast growth factor 8 isoform B
Authors:Mohammadi, M, Olsen, S.K.
Deposit date:2005-12-13
Release date:2006-02-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis by which alternative splicing modulates the organizer activity of FGF8 in the brain
Genes Dev., 20, 2006
5UE5
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BU of 5ue5 by Molmil
proMMP-7 with heparin octasaccharide bound to the catalytic domain
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Matrilysin, ...
Authors:Fulcher, Y.G, Prior, S.H, Linhardt, R.J, Van Doren, S.R.
Deposit date:2016-12-29
Release date:2017-07-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Glycan Activation of a Sheddase: Electrostatic Recognition between Heparin and proMMP-7.
Structure, 25, 2017
5UE2
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BU of 5ue2 by Molmil
proMMP-7 with heparin octasaccharide bridging between domains
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Matrilysin, ...
Authors:Fulcher, Y.G, Prior, S.H, Linhardt, R.J, Van Doren, S.R.
Deposit date:2016-12-29
Release date:2017-07-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Glycan Activation of a Sheddase: Electrostatic Recognition between Heparin and proMMP-7.
Structure, 25, 2017
2HYV
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BU of 2hyv by Molmil
Human Annexin A2 with heparin hexasaccharide bound
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Annexin A2, CALCIUM ION
Authors:Shao, C, Head, J.F, Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystallographic analysis of calcium-dependent heparin binding to annexin A2.
J.Biol.Chem., 281, 2006
5VY7
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BU of 5vy7 by Molmil
A self-assembling L-form DNA crystal lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, Yan, H.
Deposit date:2017-05-24
Release date:2017-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
5VY6
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BU of 5vy6 by Molmil
A self-assembling D-form DNA crystal lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, Yan, H.
Deposit date:2017-05-24
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
2HYU
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BU of 2hyu by Molmil
Human Annexin A2 with heparin tetrasaccharide bound
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Annexin A2, CALCIUM ION
Authors:Shao, C, Head, J.F, Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
2HYW
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BU of 2hyw by Molmil
Human Annexin A2 with Calcium bound
Descriptor: Annexin A2, CALCIUM ION
Authors:Shao, C, Head, J.F, Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
2P39
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BU of 2p39 by Molmil
Crystal structure of human FGF23
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor 23
Authors:Mohammadi, M.
Deposit date:2007-03-08
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular insights into the klotho-dependent, endocrine mode of action of fibroblast growth factor 19 subfamily members.
Mol.Cell.Biol., 27, 2007
5WY0
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BU of 5wy0 by Molmil
Crystal structure of the methyltranferase domain of human HEN1 in complex with AdoMet
Descriptor: S-ADENOSYLMETHIONINE, Small RNA 2'-O-methyltransferase
Authors:Peng, L, Ma, J.B, Wu, L.G, Huang, Y.
Deposit date:2017-01-10
Release date:2018-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Identification of substrates of the small RNA methyltransferase Hen1 in mouse spermatogonial stem cells and analysis of its methyl-transfer domain
J. Biol. Chem., 293, 2018
5X2G
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BU of 5x2g by Molmil
Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACC PAM)
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ...
Authors:Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O.
Deposit date:2017-01-31
Release date:2017-03-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems
Mol. Cell, 65, 2017
2P23
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BU of 2p23 by Molmil
Crystal structure of human FGF19
Descriptor: Fibroblast growth factor 19
Authors:Mohammadi, M.
Deposit date:2007-03-06
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular insights into the klotho-dependent, endocrine mode of action of fibroblast growth factor 19 subfamily members.
Mol.Cell.Biol., 27, 2007
5X2H
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BU of 5x2h by Molmil
Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACA PAM)
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ...
Authors:Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O.
Deposit date:2017-01-31
Release date:2017-03-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems
Mol. Cell, 65, 2017
8J5D
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BU of 8j5d by Molmil
Cryo-EM structure of starch degradation complex of BAM1-LSF1-MDH
Descriptor: Beta-amylase 1, chloroplastic, Malate dehydrogenase, ...
Authors:Guan, Z.Y, Liu, J, Yan, J.J.
Deposit date:2023-04-21
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The LIKE SEX FOUR 1-malate dehydrogenase complex functions as a scaffold to recruit beta-amylase to promote starch degradation.
Plant Cell, 36, 2023
7KSP
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BU of 7ksp by Molmil
Crystal structure of hSAMD9_DBD with DNA
Descriptor: DNA, Sterile alpha motif domain-containing protein 9
Authors:Peng, S, Pathak, P, Xiang, Y, Deng, J.
Deposit date:2020-11-23
Release date:2022-01-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of an effector domain in antiviral factors and tumor suppressors SAMD9 and SAMD9L.
Proc.Natl.Acad.Sci.USA, 119, 2022
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
Descriptor: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LTZ
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BU of 7ltz by Molmil
Bruton's tyrosine kinase in complex with compound 51
Descriptor: 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
7LTY
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BU of 7lty by Molmil
Bruton's tyrosine kinase in complex with compound 23
Descriptor: DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
3UG9
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BU of 3ug9 by Molmil
Crystal Structure of the Closed State of Channelrhodopsin
Descriptor: Archaeal-type opsin 1, Archaeal-type opsin 2, OLEIC ACID, ...
Authors:Kato, H.E, Ishitani, R, Nureki, O.
Deposit date:2011-11-02
Release date:2012-01-25
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the channelrhodopsin light-gated cation channel
Nature, 482, 2012
7Y77
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BU of 7y77 by Molmil
Crystal structure of rice NAL1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1
Authors:Yan, J.J, Guan, Z.Y, Yin, P, Xiong, L.Z.
Deposit date:2022-06-21
Release date:2023-07-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Serine protease NAL1 exerts pleiotropic functions through degradation of TOPLESS-related corepressor in rice.
Nat.Plants, 9, 2023
7CN2
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BU of 7cn2 by Molmil
Subparticle refinement of human papillomavirus type 16 pesudovirus in complex with H16.001 Fab
Descriptor: Major capsid protein L1, The heavy chain variable region of H16.001 Fab fragment, The light chain variable region of H16.001 Fab fragment
Authors:He, M.Z, Li, S.W.
Deposit date:2020-07-29
Release date:2020-09-02
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structural characterization of a neutralizing mAb H16.001, a potent candidate for a common potency assay for various HPV16 VLPs.
Npj Vaccines, 5, 2020

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