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5YVT
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BU of 5yvt by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+) and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Ma, T, Ding, J.
Deposit date:2017-11-27
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the inhibitory mechanisms of NADH on the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 8, 2018
7WZS
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BU of 7wzs by Molmil
Crystal structure of Chromobacterium violaceum effector CopC in complex with host calmodulin and caspase-7
Descriptor: Calmodulin-1, Caspase-7, CopC
Authors:Ding, J.
Deposit date:2022-02-19
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Calmodulin Binding Activates Chromobacterium CopC Effector to ADP-Riboxanate Host Apoptotic Caspases.
Mbio, 13, 2022
1J4J
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BU of 1j4j by Molmil
Crystal Structure of Tabtoxin Resistance Protein (form II) complexed with an Acyl Coenzyme A
Descriptor: ACETYL COENZYME *A, TABTOXIN RESISTANCE PROTEIN
Authors:He, H, Ding, Y, Bartlam, M, Zhang, R, Duke, N, Joachimiak, A, Shao, Y, Cao, Z, Tang, H, Liu, Y, Jiang, F, Liu, J, Zhao, N, Rao, Z.
Deposit date:2001-10-02
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of tabtoxin resistance protein complexed with acetyl coenzyme A reveals the mechanism for beta-lactam acetylation.
J.Mol.Biol., 325, 2003
5I2K
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BU of 5i2k by Molmil
Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)
Descriptor: 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-02-09
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
4TXQ
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BU of 4txq by Molmil
Crystal structure of LIP5 N-terminal domain complexed with CHMP1B MIM
Descriptor: Charged multivesicular body protein 1b, Vacuolar protein sorting-associated protein VTA1 homolog
Authors:Vild, C.J, Xu, Z.
Deposit date:2014-07-04
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
4TXP
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BU of 4txp by Molmil
Crystal structure of LIP5 N-terminal domain
Descriptor: Vacuolar protein sorting-associated protein VTA1 homolog
Authors:Vild, C.J, Xu, Z.
Deposit date:2014-07-04
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
7A4A
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BU of 7a4a by Molmil
Envelope glycprotein of endogenous retrovirus Y032 (Atlas virus) from the human hookworm Ancylostoma ceylanicum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrase catalytic domain-containing protein
Authors:Mata, C.P, Merchant, M, Modis, Y.
Deposit date:2020-08-19
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:A bioactive phlebovirus-like envelope protein in a hookworm endogenous virus.
Sci Adv, 8, 2022
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
Descriptor: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
Authors:Smith, E.W, Chen, Y.
Deposit date:2014-08-09
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
6PSF
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BU of 6psf by Molmil
Rhinovirus C15 complexed with domains I and II of receptor CDHR3
Descriptor: Cadherin-related family member 3, Capsid protein VP1, Capsid protein VP2, ...
Authors:Sun, Y, Watters, K, Klose, T, Palmenberg, A.C.
Deposit date:2019-07-12
Release date:2020-03-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of rhinovirus C15a bound to its cadherin-related protein 3 receptor.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RYB
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BU of 6ryb by Molmil
Structure of deubiquitinase for PR-ubiquitination 1 -Dup1
Descriptor: Septation initiation protein
Authors:Donghyuk, S, Ivan, D.
Deposit date:2019-06-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB.
Mol.Cell, 77, 2020
6RYA
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BU of 6rya by Molmil
Structure of Dup1 mutant H67A:Ubiquitin complex
Descriptor: Polyubiquitin-C, Septation initiation protein
Authors:Donghyuk, S, Ivan, D.
Deposit date:2019-06-10
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB.
Mol.Cell, 77, 2020
3DBE
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BU of 3dbe by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557
Descriptor: 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBD
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BU of 3dbd by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 094
Descriptor: 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBC
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BU of 3dbc by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257
Descriptor: 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1
Authors:Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBN
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BU of 3dbn by Molmil
Crystal structure of the Streptoccocus suis serotype2 D-mannonate dehydratase in complex with its substrate
Descriptor: D-MANNONIC ACID, MANGANESE (II) ION, Mannonate dehydratase
Authors:Peng, H, Zhang, Q, Gao, F, Gao, G.F.
Deposit date:2008-06-02
Release date:2009-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of Streptococcus suis mannonate dehydratase (ManD) and its complex with substrate: genetic and biochemical evidence for a catalytic mechanism
J.Bacteriol., 191, 2009
3DBF
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BU of 3dbf by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562
Descriptor: 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase
Authors:Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5HXF
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BU of 5hxf by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
Descriptor: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
Authors:Li, B, Yuan, Z, Qin, L, Gu, L.
Deposit date:2016-01-30
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
1C47
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BU of 1c47 by Molmil
BINDING DRIVEN STRUCTURAL CHANGES IN CRYSTALINE PHOSPHOGLUCOMUTASE ASSOCIATED WITH CHEMICAL REACTION
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE PHOSPHOTRANSFERASE, CADMIUM ION
Authors:Baranidharan, S, Ray Jr, W.J.
Deposit date:1999-08-11
Release date:1999-08-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding Driven Structural Changes in Crystaline Phosphoglucomutase Associated with Chemical Reaction
To be Published
8X5D
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BU of 8x5d by Molmil
The cryo-EM structure of the Mycobacterium tuberculosis CRISPR-Csm complex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm5, Csm2, ...
Authors:Liu, M.X, Li, Z.K.
Deposit date:2023-11-17
Release date:2024-03-06
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type-III-A structure of mycobacteria CRISPR-Csm complexes involving atypical crRNAs.
Int.J.Biol.Macromol., 260, 2024
7YW5
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BU of 7yw5 by Molmil
Crystal Structure of the ITS1 processing by human ribonuclease ISG20L2 with mutation D327A
Descriptor: Interferon-stimulated 20 kDa exonuclease-like 2
Authors:Yang, X.Y, Liu, X.H.
Deposit date:2022-08-21
Release date:2024-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Molecular mechanism of human ISG20L2 for the ITS1 cleavage in the processing of 18S precursor ribosomal RNA.
Nucleic Acids Res., 52, 2024
8WMM
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BU of 8wmm by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 28-bp DNA substrate (20-nt complementary)
Descriptor: MAGNESIUM ION, NTS, PcrIIC1, ...
Authors:Zhang, S, Lin, S, Liu, J.J.G.
Deposit date:2023-10-04
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WMN
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BU of 8wmn by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (symmetric 20-nt complementary)
Descriptor: DNA (62-MER), MAGNESIUM ION, PcrIIC1, ...
Authors:Zhang, S, Lin, S, Liu, J.J.G.
Deposit date:2023-10-04
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WR4
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BU of 8wr4 by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (non-targeting complex)
Descriptor: CbCas9 effector-1, DNA (62-MER), MAGNESIUM ION, ...
Authors:Zhang, S, Lin, S, Liu, J.J.G.
Deposit date:2023-10-13
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WWP
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BU of 8wwp by Molmil
PNPase mutant of Mycobacterium tuberculosis
Descriptor: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase
Authors:Wang, N, Sheng, Y.N, Liu, Y.T.
Deposit date:2023-10-26
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8WMH
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BU of 8wmh by Molmil
Structure of CbCas9 bound to 6-nucleotide complementary DNA substrate
Descriptor: NTS, TS, deadCbCas9, ...
Authors:Zhang, S, Lin, S, Liu, J.J.G.
Deposit date:2023-10-03
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024

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数据于2024-10-16公开中

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