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8GTN
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BU of 8gtn by Molmil
Cryo-EM structure of the gasdermin B pore
Descriptor: Isoform 4 of Gasdermin-B
Authors:Hou, Y.J, Cheng, H, Ding, J.
Deposit date:2022-09-08
Release date:2023-04-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural mechanisms for regulation of GSDMB pore-forming activity.
Nature, 616, 2023
8GTJ
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BU of 8gtj by Molmil
Crystal structure of IpaH7.8-LRR and GSDMB isoform-4 complex
Descriptor: Isoform 4 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8
Authors:Zhong, X, Hou, Y.J, Ding, J.
Deposit date:2022-09-08
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural mechanisms for regulation of GSDMB pore-forming activity.
Nature, 616, 2023
6EF4
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BU of 6ef4 by Molmil
Crystal structure of mouse PP2A Aalpha P179R mutant
Descriptor: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
Authors:Wang, Z, Shen, G, Xu, W.
Deposit date:2018-08-16
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Descriptor: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
6OQO
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BU of 6oqo by Molmil
CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine
Descriptor: Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
Authors:Murray, J.M, Boenig, G.D.L.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6OQL
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BU of 6oql by Molmil
CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine
Descriptor: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6
Authors:Murray, J.M.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.707 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
7UG9
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BU of 7ug9 by Molmil
Crystal structure of RNase AM PHP domain
Descriptor: 5'-3' exoribonuclease, MANGANESE (II) ION, SULFATE ION
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2022-03-24
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Identification of a novel deFADding activity in human, yeast and bacterial 5' to 3' exoribonucleases.
Nucleic Acids Res., 50, 2022
4QZV
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BU of 4qzv by Molmil
Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W.
Deposit date:2014-07-29
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
7XIV
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BU of 7xiv by Molmil
Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein
Descriptor: Nucleocapsid protein,Minor nucleoprotein VP30
Authors:Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y.
Deposit date:2022-04-14
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into the interactions between lloviu virus VP30 and nucleoprotein.
Biochem.Biophys.Res.Commun., 616, 2022
7X39
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BU of 7x39 by Molmil
Structure of CIZ1 bound ERH
Descriptor: Enhancer of rudimentary homolog,Cip1-interacting zinc finger protein
Authors:Wang, X, Xu, C.
Deposit date:2022-02-28
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular basis for the recognition of CIZ1 by ERH.
Febs J., 290, 2023
5C93
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BU of 5c93 by Molmil
Histidine kinase with ATP
Descriptor: Histidine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Cai, Y.
Deposit date:2015-06-26
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
8TZX
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BU of 8tzx by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1
Descriptor: (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ...
Authors:Clifton, M.C, Ma, X, Ornelas, E.
Deposit date:2023-08-28
Release date:2024-07-10
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction.
Science, 385, 2024
5KH4
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BU of 5kh4 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) with FARNESYL DIPHOSPHATE
Descriptor: FARNESYL DIPHOSPHATE, Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH2
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BU of 5kh2 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)
Descriptor: Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
3PZ7
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BU of 3pz7 by Molmil
Crystal structure of Ccd1-DIX domain
Descriptor: 1,2-ETHANEDIOL, Dixin
Authors:Liu, Y.T, Wang, J.W, Chen, L, Wu, J.W.
Deposit date:2010-12-14
Release date:2010-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.441 Å)
Cite:Molecular basis of WNT Activation via the DIX-domain protein CCD1
To be Published
3LRB
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BU of 3lrb by Molmil
Structure of E. coli AdiC
Descriptor: Arginine/agmatine antiporter
Authors:Gao, X, Lu, F, Zhou, L, Shi, Y.
Deposit date:2010-02-10
Release date:2010-02-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Structure and mechanism of an amino acid antiporter
Science, 324, 2009
7XGY
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BU of 7xgy by Molmil
cryo-EM structure of hemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Liu, N, Wang, H.W.
Deposit date:2022-04-07
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
8GVL
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BU of 8gvl by Molmil
PTPN21 FERM
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8AM4
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BU of 8am4 by Molmil
Cl-rsEGFP2 Long Wavelength Structure
Descriptor: Green fluorescent protein
Authors:Orr, C.M, Fadini, A, van Thor, J.
Deposit date:2022-08-02
Release date:2023-08-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 2023
8GVV
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BU of 8gvv by Molmil
PTPN21 PTP domain C1108S mutant
Descriptor: IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21
Authors:Chen, L, Zheng, Y.Y, Zhou, C.
Deposit date:2022-09-15
Release date:2023-09-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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BU of 7xdr by Molmil
Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7B0L
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BU of 7b0l by Molmil
Neisseria gonorrhoeae transaldolase, low-dose inhouse
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2020-11-20
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
6AUD
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BU of 6aud by Molmil
PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
Descriptor: 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Ultsch, M.
Deposit date:2017-08-31
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
ACS Med Chem Lett, 8, 2017
5D41
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BU of 5d41 by Molmil
EGFR kinase domain in complex with mutant selective allosteric inhibitor
Descriptor: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Yun, C.-H, Park, E, Eck, M.J.
Deposit date:2015-08-07
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Nature, 534, 2016

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数据于2024-09-11公开中

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