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PDB: 1027 results

6AWG
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Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan
Descriptor: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWJ
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Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction
Descriptor: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6B5H
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ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6AWI
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BU of 6awi by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan
Descriptor: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
3M9E
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BU of 3m9e by Molmil
Thyroid hormone beta DNA binding domain homodimer with inverted palindrome TRE
Descriptor: DNA (5'-D(*AP*TP*TP*GP*AP*CP*CP*TP*CP*AP*GP*CP*TP*GP*AP*GP*GP*TP*CP*AP*AP*T)-3'), Thyroid hormone receptor beta, ZINC ION
Authors:Chen, Y.
Deposit date:2010-03-22
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Structure of a thyroid hormone receptor DNA-binding domain homodimer bound to an inverted palindrome DNA response element.
Mol.Endocrinol., 24, 2010
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
8KAK
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BU of 8kak by Molmil
Crystal structure of SpyCas9 in complex with sgRNA and 18nt target DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (26-MER), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
8KAL
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BU of 8kal by Molmil
Crystal structure of SpyCas9 in complex with sgRNA and 17nt target DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (25-MER), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
8KAJ
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BU of 8kaj by Molmil
Crystal structure of SpyCas9-crRNA-tracrRNA complex bound to 16nt target DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*CP*AP*AP*TP*AP*CP*CP*TP*TP*TP*TP*AP*TP*CP*CP*AP*TP*AP*AP*AP*TP*TP*CP*G)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
8KAM
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BU of 8kam by Molmil
Crystal structure of SpyCas9 in complex with sgRNA and 16nt target DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*CP*AP*AP*TP*AP*CP*CP*TP*CP*TP*TP*CP*AP*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*G)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
8KAG
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BU of 8kag by Molmil
Crystal structure of SpyCas9 in complex with sgRNA and target RNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, RNA (5'-R(*CP*CP*AP*CP*UP*UP*CP*AP*AP*UP*UP*AP*GP*AP*AP*CP*AP*CP*GP*GP*AP*CP*C)-3'), RNA (98-MER)
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.88 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
8KAI
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BU of 8kai by Molmil
Crystal structure of SpyCas9-crRNA-tracrRNA complex bound to 17nt target DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (25-MER), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
8KAH
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BU of 8kah by Molmil
Crystal structure of SpyCas9-crRNA-tracrRNA complex bound to 18nt target DNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (26-MER), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
2D27
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BU of 2d27 by Molmil
Structure of the N-terminal domain of XpsE (crystal form I4122)
Descriptor: type II secretion ATPase XpsE
Authors:Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
Deposit date:2005-09-03
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005
3P2T
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BU of 3p2t by Molmil
Crystal Structure of Leukocyte Ig-like Receptor LILRB4 (ILT3/LIR-5/CD85k)
Descriptor: Leukocyte immunoglobulin-like receptor subfamily B member 4, SULFATE ION
Authors:Chen, Y, Nam, G, Cheng, H, Zhang, J.H, Willcox, B.E, Gao, G.F.
Deposit date:2010-10-04
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structure of leukocyte Ig-like receptor LILRB4 (ILT3/LIR-5/CD85k): a myeloid inhibitory receptor involved in immune tolerance
J.Biol.Chem., 286, 2011
2FEY
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BU of 2fey by Molmil
The structure of stem loop IV of Tetrahymena telomerase RNA
Descriptor: stem-loop IV of Tetrahymena telomerase RNA
Authors:Chen, Y, Fender, J, Legassie, J.D, Jarstfer, M.B, Bryan, T.M, Varani, G.
Deposit date:2005-12-16
Release date:2006-06-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of stem-loop IV of Tetrahymena telomerase RNA.
Embo J., 25, 2006
2FFY
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BU of 2ffy by Molmil
AmpC beta-lactamase N289A mutant in complex with a boronic acid deacylation transition state analog compound SM3
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Chen, Y, Minasov, G, Roth, T.A, Prati, F, Shoichet, B.K.
Deposit date:2005-12-20
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:The deacylation mechanism of AmpC beta-lactamase at ultrahigh resolution
J.Am.Chem.Soc., 128, 2006
2MCQ
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BU of 2mcq by Molmil
NMR structure of a BolA-like hypothetical protein RP812 from Rickettsia prowazekii, Seattle structural genomics center for infectious disease (SSGCID)
Descriptor: Uncharacterized protein RP812
Authors:Chen, Y, Barnwal, R, Yang, F, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-08-22
Release date:2013-10-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of a BolA-like hypothetical protein RP812 from Rickettsia prowazekii, Seattle structural genomics center for infectious disease (SSGCID)
To be Published
5VAE
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BU of 5vae by Molmil
Crystal structure of accessory secretion protein 1 and 3
Descriptor: Accessory Sec system protein Asp1, Accessory Sec system protein Asp3
Authors:Chen, Y, Rapoport, T.A, Jeffrey, P.D.
Deposit date:2017-03-25
Release date:2018-02-21
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Unraveling the sequence of cytosolic reactions in the export of GspB adhesin fromStreptococcus gordonii.
J. Biol. Chem., 293, 2018
5VAF
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BU of 5vaf by Molmil
Crystal structure of accessory secretion protein 1
Descriptor: Accessory Sec system protein Asp1
Authors:Chen, Y, Rapoport, T.A, Jeffrey, P.D.
Deposit date:2017-03-25
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.771 Å)
Cite:Unraveling the sequence of cytosolic reactions in the export of GspB adhesin fromStreptococcus gordonii.
J. Biol. Chem., 293, 2018
5E9T
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BU of 5e9t by Molmil
Crystal structure of GtfA/B complex
Descriptor: Glycosyltransferase Gtf1, Glycosyltransferase-stabilizing protein Gtf2, MAGNESIUM ION
Authors:Chen, Y, Rapoport, T.A.
Deposit date:2015-10-15
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Mechanism of a cytosolic O-glycosyltransferase essential for the synthesis of a bacterial adhesion protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
5E9U
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BU of 5e9u by Molmil
Crystal structure of GtfA/B complex bound to UDP and GlcNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyltransferase Gtf1, Glycosyltransferase-stabilizing protein Gtf2, ...
Authors:Chen, Y, Rapoport, T.A.
Deposit date:2015-10-15
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.84 Å)
Cite:Mechanism of a cytosolic O-glycosyltransferase essential for the synthesis of a bacterial adhesion protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
5UMB
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BU of 5umb by Molmil
Crystal structure of ATPase domain of Malaria GRP78 with ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone DnaK, MAGNESIUM ION, ...
Authors:Chen, Y, Antoshchenko, T, Pizarro, J.C, Song, J.H, Park, H.
Deposit date:2017-01-26
Release date:2022-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Repurposing drugs to target the malaria parasite unfolding protein response.
Sci Rep, 8, 2018
2P74
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BU of 2p74 by Molmil
CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
Descriptor: Beta-lactamase CTX-M-9a, PHOSPHATE ION, POTASSIUM ION
Authors:Chen, Y, Bonnet, R, Shoichet, B.K.
Deposit date:2007-03-19
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:The Acylation Mechanism of CTX-M beta-Lactamase at 0.88 A Resolution.
J.Am.Chem.Soc., 129, 2007

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