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6C51
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BU of 6c51 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6D02
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BU of 6d02 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL, 2nd form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, PHOSPHATE ION, ...
Authors:Zhang, S.-Q, Liu, L, Degrado, W.F.
Deposit date:2018-04-10
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6DIG
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BU of 6dig by Molmil
Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide
Descriptor: 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W.
Deposit date:2018-05-23
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
7WQZ
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BU of 7wqz by Molmil
Structure of Active-mutEP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WR7
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BU of 7wr7 by Molmil
Structure of Inhibited-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ...
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQW
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BU of 7wqw by Molmil
Structure of Active-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQX
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BU of 7wqx by Molmil
Structure of Inactive-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
3H15
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BU of 3h15 by Molmil
Crystal structure of replication initiation factor MCM10-ID bound to ssDNA
Descriptor: 5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*C)-3', Protein MCM10 homolog, ZINC ION
Authors:Warren, E.M, Eichman, B.F.
Deposit date:2009-04-10
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Physical Interactions between Mcm10, DNA, and DNA Polymerase {alpha}.
J.Biol.Chem., 284, 2009
4CQH
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BU of 4cqh by Molmil
Structure of Infrared Fluorescent Protein IFP2.0
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, BACTERIOPHYTOCHROME, SODIUM ION
Authors:Lafaye, C, Yu, D, Noirclerc-Savoye, M, Shu, X, Royant, A.
Deposit date:2014-02-17
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:An Improved Monomeric Infrared Fluorescent Protein for Neuronal and Tumour Brain Imaging.
Nat.Commun., 5, 2014
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24916625 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2808516 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-21
Release date:2022-03-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
3N07
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BU of 3n07 by Molmil
Structure of putative 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Vibrio cholerae
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, MAGNESIUM ION
Authors:Liu, W, Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-05-13
Release date:2010-08-04
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Biochemistry, 52, 2013
3MMZ
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BU of 3mmz by Molmil
CRYSTAL STRUCTURE OF putative HAD family hydrolase from Streptomyces avermitilis MA-4680
Descriptor: CALCIUM ION, CHLORIDE ION, putative HAD family hydrolase
Authors:Malashkevich, V.N, Ramagopal, U.A, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-04-20
Release date:2010-04-28
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Biochemistry, 52, 2013
3MN1
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BU of 3mn1 by Molmil
Crystal structure of probable yrbi family phosphatase from pseudomonas syringae pv.phaseolica 1448a
Descriptor: CHLORIDE ION, probable yrbi family phosphatase
Authors:Patskovsky, Y, Ramagopal, U, Toro, R, Freeman, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-04-20
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Biochemistry, 52, 2013
5Z08
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BU of 5z08 by Molmil
The crystal structure of kinetochore subunits Cenp-H/I/K triple complex
Descriptor: Cenp-H, Cenp-I, Cenp-K
Authors:Tian, W, Hu, L.Q, He, X.
Deposit date:2017-12-18
Release date:2018-10-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural analysis of fungal CENP-H/I/K homologs reveals a conserved assembly mechanism underlying proper chromosome alignment.
Nucleic Acids Res., 47, 2019
5Z07
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BU of 5z07 by Molmil
Crystal structure of centromere protein Cenp-I
Descriptor: Cenp-I
Authors:Tian, W, Hu, L.Q, He, X.
Deposit date:2017-12-18
Release date:2018-10-31
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structural analysis of fungal CENP-H/I/K homologs reveals a conserved assembly mechanism underlying proper chromosome alignment.
Nucleic Acids Res., 47, 2019
4YTI
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BU of 4yti by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTF
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BU of 4ytf by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2
Authors:Farmer, L, Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
5BSA
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BU of 5bsa by Molmil
Structure of histone H3/H4 in complex with Spt2
Descriptor: Histone H3.2, Histone H4, Protein SPT2 homolog
Authors:Chen, S, Patel, D.J.
Deposit date:2015-06-01
Release date:2015-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (4.611 Å)
Cite:Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.
Genes Dev., 29, 2015
5BS7
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BU of 5bs7 by Molmil
Structure of histone H3/H4 in complex with Spt2
Descriptor: Histone H3.2, Histone H4, Protein SPT2 homolog, ...
Authors:Chen, S, Patel, D.J.
Deposit date:2015-06-01
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-function studies of histone H3/H4 tetramer maintenance during transcription by chaperone Spt2.
Genes Dev., 29, 2015
4HGP
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BU of 4hgp by Molmil
Crystal Structure of 2-keto-3-deoxyoctulosonate 8-phosphate phosphohydrolase from Haemophilus influenzae in complex with transition state mimic
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ...
Authors:Daughtry, K.D, Allen, K.N.
Deposit date:2012-10-08
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for the Divergence of Substrate Specificity and Biological Function within HAD Phosphatases in Lipopolysaccharide and Sialic Acid Biosynthesis.
Biochemistry, 52, 2013

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