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5YYZ
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BU of 5yyz by Molmil
Crystal structure of the MEK1 FHA domain in complex with the HOP1 pThr318 peptide.
Descriptor: Meiosis-specific protein HOP1, Meiosis-specific serine/threonine-protein kinase MEK1
Authors:Xie, C, Li, F, Jiang, Y, Wu, J, Shi, Y.
Deposit date:2017-12-11
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural insights into the recognition of phosphorylated Hop1 by Mek1
Acta Crystallogr D Struct Biol, 74, 2018
5YYX
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BU of 5yyx by Molmil
Crystal Structure of the MEK1 FHA domain
Descriptor: Meiosis-specific serine/threonine-protein kinase MEK1
Authors:Xie, C, Li, F, Jiang, Y, Wu, J, Shi, Y.
Deposit date:2017-12-11
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Structural insights into the recognition of phosphorylated Hop1 by Mek1
Acta Crystallogr D Struct Biol, 74, 2018
7V5Q
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BU of 7v5q by Molmil
The dimeric structure of G80A/H81A/L137E myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xie, C, Komori, H, Hirota, S.
Deposit date:2021-08-17
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region.
Rsc Adv, 11, 2021
7V5R
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BU of 7v5r by Molmil
The dimeric structure of G80A/H81A/L137D myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xie, C, Komori, H, Hirota, S.
Deposit date:2021-08-17
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region.
Rsc Adv, 11, 2021
7V5P
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BU of 7v5p by Molmil
The dimeric structure of G80A/H81A myoglobin
Descriptor: Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xie, C, Nagao, S, Shibata, N, Higuchi, Y, Hirota, S.
Deposit date:2021-08-17
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region.
Rsc Adv, 11, 2021
3K6S
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BU of 3k6s by Molmil
Structure of integrin alphaXbeta2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A.
Deposit date:2009-10-09
Release date:2010-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
3K72
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BU of 3k72 by Molmil
Structure of integrin alphaX beta2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A.
Deposit date:2009-10-11
Release date:2010-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
3K71
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BU of 3k71 by Molmil
Structure of integrin alphaX beta2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A.
Deposit date:2009-10-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
7YHJ
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BU of 7yhj by Molmil
Effector binding domain of LysR-Type transcription factor LrhA from E. coli
Descriptor: DI(HYDROXYETHYL)ETHER, Probable HTH-type transcriptional regulator LrhA, SULFATE ION
Authors:Xie, C, Jiang, X.
Deposit date:2022-07-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.237 Å)
Cite:Effector binding domain of LysR-Type transcription factor LrhA from E. coli
To Be Published
4HBN
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BU of 4hbn by Molmil
Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Authors:Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L.
Deposit date:2012-09-28
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel.
Structure, 20, 2012
5Z4D
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BU of 5z4d by Molmil
Structure of Tailor in complex with AGUU RNA
Descriptor: RNA (5'-R(*AP*GP*UP*U)-3'), Terminal uridylyltransferase Tailor
Authors:Cheng, L, Li, F, Jiang, Y, Yu, H, Xie, C, Shi, Y, Gong, Q.
Deposit date:2018-01-11
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural insights into a unique preference for 3' terminal guanine of mirtron in Drosophila TUTase tailor.
Nucleic Acids Res., 47, 2019
5Z4M
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BU of 5z4m by Molmil
Structure of TailorD343A with bound UTP and Mg
Descriptor: MAGNESIUM ION, Terminal uridylyltransferase Tailor, URIDINE 5'-TRIPHOSPHATE
Authors:Cheng, L, Li, F, Jiang, Y, Yu, H, Xie, C, Shi, Y, Gong, Q.
Deposit date:2018-01-11
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural insights into a unique preference for 3' terminal guanine of mirtron in Drosophila TUTase tailor.
Nucleic Acids Res., 47, 2019
5Z4C
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BU of 5z4c by Molmil
Crystal structure of Tailor
Descriptor: Terminal uridylyltransferase Tailor
Authors:Cheng, L, Li, F, Jiang, Y, Yu, H, Xie, C, Shi, Y, Gong, Q.
Deposit date:2018-01-10
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into a unique preference for 3' terminal guanine of mirtron in Drosophila TUTase tailor.
Nucleic Acids Res., 47, 2019
5Z4J
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BU of 5z4j by Molmil
Structure of Tailor in complex with U4 RNA
Descriptor: RNA (5'-R(*UP*UP*UP*U)-3'), Terminal uridylyltransferase Tailor
Authors:Cheng, L, Li, F, Jiang, Y, Yu, H, Xie, C, Shi, Y, Gong, Q.
Deposit date:2018-01-11
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural insights into a unique preference for 3' terminal guanine of mirtron in Drosophila TUTase tailor.
Nucleic Acids Res., 47, 2019
5Z4A
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BU of 5z4a by Molmil
Structure of Tailor in complex with AGU RNA
Descriptor: RNA (5'-R(*AP*GP*U)-3'), Terminal uridylyltransferase Tailor
Authors:Cheng, L, Li, F, Jiang, Y, Yu, H, Xie, C, Shi, Y, Gong, Q.
Deposit date:2018-01-10
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.637 Å)
Cite:Structural insights into a unique preference for 3' terminal guanine of mirtron in Drosophila TUTase tailor.
Nucleic Acids Res., 47, 2019
1ZMH
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BU of 1zmh by Molmil
Crystal structure of human neutrophil peptide 2, HNP-2 (variant Gly16-> D-Ala)
Descriptor: GLYCEROL, HEXAETHYLENE GLYCOL, Neutrophil defensin 2, ...
Authors:Lubkowski, J, Prahl, A, Lu, W.
Deposit date:2005-05-10
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
1ZMI
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BU of 1zmi by Molmil
Crystal structure of human alpha_defensin-2 (variant GLY16->D-ALA), P 32 2 1 space group )
Descriptor: GLYCEROL, Neutrophil defensin 2, SULFATE ION
Authors:Lubkowski, J, Prahl, A, Lu, W.
Deposit date:2005-05-10
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
1ZMK
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BU of 1zmk by Molmil
Crystal structure of human alpha-defensin-2 (variant Gly16-> D-ALA), P 42 21 2 space group
Descriptor: CHLORIDE ION, GLYCEROL, Neutrophil defensin 2
Authors:Lubkowski, J, Prahl, A, Lu, W.
Deposit date:2005-05-10
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
8S9H
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BU of 8s9h by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 14
Descriptor: (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-03-28
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8TTY
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BU of 8tty by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ...
Authors:Critton, D.A.
Deposit date:2023-08-15
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8TTZ
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BU of 8ttz by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 20
Descriptor: (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-08-15
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
7MCE
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BU of 7mce by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol
Descriptor: 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4
Authors:Sheriff, S.
Deposit date:2021-04-02
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
8HC7
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BU of 8hc7 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) complex with YB9-258 Fab, focused refinement of RBD-dimer region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain variable region of YB9-258, Light chain variable region of YB9-258, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.54 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC8
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BU of 8hc8 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB13-292 Fab, focused refinement of Fab region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, Light chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC6
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BU of 8hc6 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB9-258 Fab, focused refinement of Fab region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, Light chain of YB9-258, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023

 

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