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4PPM
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BU of 4ppm by Molmil
Crystal structure of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Descriptor: Aminotransferase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Lou, X.D, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2014-02-27
Release date:2015-01-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the catalytic domain of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Biochem.Biophys.Res.Commun., 447, 2014
8IHO
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BU of 8iho by Molmil
Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors
Descriptor: Papain-like protease nsp3, ZINC ION, covalent inhibitor
Authors:Wang, Q, Hu, H, Li, M, Xu, Y.
Deposit date:2023-02-23
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease.
Int J Mol Sci, 24, 2023
4WUM
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BU of 4wum by Molmil
X-ray crystal structure of Chalcone Synthase from Freesia hybrida
Descriptor: Chalcone synthase
Authors:Almqvist, J, Jiang, W.S, Wang, L, Huang, Y.
Deposit date:2014-11-02
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Molecular and Biochemical Analysis of Chalcone Synthase from Freesia hybrid in Flavonoid Biosynthetic Pathway.
Plos One, 10, 2015
2FJP
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BU of 2fjp by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W.
Deposit date:2006-01-03
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
8YE6
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BU of 8ye6 by Molmil
Cryo-EM structure of Cas9-sgRNA-A32 complex
Descriptor: A32, CRISPR-associated endonuclease Cas9/Csn1, RNA (92-MER)
Authors:Zheng, J, Zhu, Y, Huang, Z.
Deposit date:2024-02-22
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Inhibition mechanisms of CRISPR-Cas9 by AcrIIA25.1 and AcrIIA32.
Sci China Life Sci, 67, 2024
8YE9
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BU of 8ye9 by Molmil
Cryo-EM structure of Cas9-sgRNA-A25 complex
Descriptor: A25, CRISPR-associated endonuclease Cas9/Csn1, RNA (98-MER)
Authors:Zheng, J, Zhu, Y, Huang, Z.
Deposit date:2024-02-22
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Inhibition mechanisms of CRISPR-Cas9 by AcrIIA25.1 and AcrIIA32.
Sci China Life Sci, 67, 2024
8I8A
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BU of 8i8a by Molmil
Cryo-EM structure of the major capsid protein VP39 of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: Major viral capsid protein
Authors:Jia, X, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
8I8C
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BU of 8i8c by Molmil
Plug structure of the Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: Occlusion-derived virus envelope/capsid protein, P40
Authors:Jia, X, Gao, Y, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (4.93 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
8I8B
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BU of 8i8b by Molmil
Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: 38K, AcOrf-109 peptide, Early 49 Daa protein, ...
Authors:Jia, X, Gao, Y, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
8IAZ
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BU of 8iaz by Molmil
Cryo-EM structure of the ISFba1 TnpB-reRNA-dsDNA complex
Descriptor: DNA (5'-D(P*AP*CP*AP*TP*GP*GP*AP*CP*CP*AP*TP*CP*AP*GP*CP*TP*CP*CP*TP*AP*AP*TP*GP*G)-3'), DNA (5'-D(P*CP*CP*AP*TP*TP*AP*GP*GP*AP*GP*CP*TP*GP*AP*TP*G)-3'), RNA (207-MER), ...
Authors:Yin, M, Zhou, F, Zhu, Y, Huang, Z.
Deposit date:2023-02-09
Release date:2024-04-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Discovery and structural mechanism of DNA endonucleases guided by RAGATH-18-derived RNAs.
Cell Res., 34, 2024
4PNZ
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BU of 4pnz by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102)
Descriptor: (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Yan, Y.
Deposit date:2014-02-22
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
5Y14
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BU of 5y14 by Molmil
Crystal structure of LP-40/N44
Descriptor: LP-40, N44
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-07-19
Release date:2017-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
5YC0
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BU of 5yc0 by Molmil
Crystal structure of LP-46/N44
Descriptor: Envelope glycoprotein, LP-46
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-05
Release date:2018-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
6CWS
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BU of 6cws by Molmil
The NMR solution structure of CCL28
Descriptor: C-C motif chemokine 28
Authors:Thomas, M.A, Peterson, F.C, Volkman, B.F.
Deposit date:2018-03-30
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Solution Structure of CCL28 Reveals Structural Lability that Does Not Constrain Antifungal Activity.
J. Mol. Biol., 430, 2018
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
Descriptor: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
Authors:Gao, G.G, Shi, Y, Peng, R, Liu, S.
Deposit date:2016-10-01
Release date:2016-11-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
5CZW
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BU of 5czw by Molmil
Crystal structure of myroilysin
Descriptor: Myroilysin, ZINC ION
Authors:Zhou, J, Ran, T, Xu, D, Wang, W.
Deposit date:2015-08-01
Release date:2016-08-03
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017
8DEG
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BU of 8deg by Molmil
Crystal structure of DLK in complex with inhibitor DN0011197
Descriptor: Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Authors:Srivastava, A, Lexa, K, de Vicente, J.
Deposit date:2022-06-20
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
5YB3
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BU of 5yb3 by Molmil
Crystal structure of HP23L/N36
Descriptor: Envelope glycoprotein, HP23L
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-03
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
5YB2
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BU of 5yb2 by Molmil
Crystal structure of LP-11/N44
Descriptor: Envelope glycoprotein, LP-11
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-03
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
5YB4
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BU of 5yb4 by Molmil
Crystal structure of HP23LN36KR
Descriptor: HP23L, N36KR
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-03
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
6IIC
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BU of 6iic by Molmil
CryoEM structure of Mud Crab Dicistrovirus
Descriptor: VP1 of Mud crab dicistrovirus, VP2 of Mud crab dicistrovirus, VP3 of Mud crab dicistrovirus, ...
Authors:Zhang, Q, Gao, Y.
Deposit date:2018-10-04
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
3T10
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BU of 3t10 by Molmil
HSP90 N-terminal domain bound to ACP
Descriptor: Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Li, J.
Deposit date:2011-07-21
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
6IZL
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BU of 6izl by Molmil
Cryo-EM structure of Mud crab tombus-like virus at 3.3 Angstroms resolution
Descriptor: mud crab tombus-like virus
Authors:Zhang, Q, Gao, Y.
Deposit date:2018-12-19
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
5MEC
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BU of 5mec by Molmil
Crystal structure of yeast Cdt1 middle domain (residues 294-433)
Descriptor: Cell division cycle protein CDT1
Authors:Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
Deposit date:2016-11-14
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
4HXP
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BU of 4hxp by Molmil
Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor
Descriptor: 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013

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