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7T3Z
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BU of 7t3z by Molmil
Structure of MERS 3CL protease in complex with inhibitor 9c
Descriptor: (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T45
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BU of 7t45 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c
Descriptor: (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T40
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BU of 7t40 by Molmil
Structure of MERS 3CL protease in complex with inhibitor 10c
Descriptor: (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2021-12-09
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
6LVT
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BU of 6lvt by Molmil
Solution structure of holo acyl carrier protein from Thermotoga maritima
Descriptor: Acyl carrier protein
Authors:Lee, Y, Kim, Y.
Deposit date:2020-02-05
Release date:2020-12-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of an ACP from Thermotoga maritima : Insights into Hyperthermal Adaptation.
Int J Mol Sci, 21, 2020
3FFL
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BU of 3ffl by Molmil
Crystal Structure of the N-terminal Domain of Anaphase-Promoting Complex Subunit 7
Descriptor: Anaphase-promoting complex subunit 7
Authors:Han, D, Kim, K, Kim, Y, Kim, Y.
Deposit date:2008-12-03
Release date:2008-12-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the N-terminal Domain of Anaphase-Promoting Complex Subunit 7
To be published
5SY5
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BU of 5sy5 by Molmil
Crystal Structure of the Heterodimeric NPAS1-ARNT Complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Neuronal PAS domain-containing protein 1
Authors:Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F.
Deposit date:2016-08-10
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors.
Elife, 5, 2016
5SY7
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BU of 5sy7 by Molmil
Crystal Structure of the Heterodimeric NPAS3-ARNT Complex with HRE DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ...
Authors:Wu, D, Su, X, Potluri, N, Kim, Y, Rastinejad, F.
Deposit date:2016-08-10
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:NPAS1-ARNT and NPAS3-ARNT crystal structures implicate the bHLH-PAS family as multi-ligand binding transcription factors.
Elife, 5, 2016
5T6F
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BU of 5t6f by Molmil
1.90 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (orthorhombic P form)
Descriptor: 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide, Genome polyprotein
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C.
Deposit date:2016-09-01
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
5T6D
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BU of 5t6d by Molmil
2.10 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (hexagonal form)
Descriptor: 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide, Genome polyprotein
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C.
Deposit date:2016-09-01
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
5T6G
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BU of 5t6g by Molmil
2.45 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7m (hexagonal form)
Descriptor: 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide, Genome polyprotein
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C.
Deposit date:2016-09-01
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
4R3Z
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BU of 4r3z by Molmil
Crystal structure of human ArgRS-GlnRS-AIMP1 complex
Descriptor: Aminoacyl tRNA synthase complex-interacting multifunctional protein 1, Arginine--tRNA ligase, cytoplasmic, ...
Authors:Fu, Y, Kim, Y, Cho, Y.
Deposit date:2014-08-18
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4.033 Å)
Cite:Structure of the ArgRS-GlnRS-AIMP1 complex and its implications for mammalian translation
Proc.Natl.Acad.Sci.USA, 111, 2014
5KZV
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BU of 5kzv by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol
Descriptor: (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.616 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
7AZN
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BU of 7azn by Molmil
Structure of mouse AsterC (GramD1c) with a new cholesterol-derived compound
Descriptor: 20alpha-hydroxy-20-(5-methylhexyl)cholesterol, ETHANOL, GLYCEROL, ...
Authors:Romartinez-Alonso, B, Sirvydis, K, Kim, Y, Xiao, X, Jung, M, Tontonoz, P, Schwabe, J.
Deposit date:2020-11-16
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Selective Aster inhibitors distinguish vesicular and nonvesicular sterol transport mechanisms.
Proc.Natl.Acad.Sci.USA, 118, 2021
5KZY
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BU of 5kzy by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with cyclopamine
Descriptor: Cyclopamine, Smoothened
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZZ
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BU of 5kzz by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form
Descriptor: ACETATE ION, GLYCEROL, Smoothened, ...
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
1GWI
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BU of 1gwi by Molmil
The 1.92 A structure of Streptomyces coelicolor A3(2) CYP154C1: A new monooxygenase that functionalizes macrolide ring systems
Descriptor: CYTOCHROME P450 154C1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Podust, L.M, Kim, Y, Arase, M, Neely, B.A, Beck, B.J, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R.
Deposit date:2002-03-15
Release date:2003-01-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The 1.92 A Structure of Streptomyces Coelicolor A3(2) Cyp154C1: A New Monooxygenase that Functionalizes Macrolide Ring Systems
J.Biol.Chem., 278, 2003
6J10
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BU of 6j10 by Molmil
Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly
Descriptor: 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein
Authors:Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly.
Nat Commun, 10, 2019
7RZL
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BU of 7rzl by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-27
Release date:2021-09-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol
To Be Published
7RZP
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BU of 7rzp by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Dihydropteridine reductase, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-27
Release date:2021-09-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866
To Be Published
7S1A
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BU of 7s1a by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20
Descriptor: ACETIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-01
Release date:2021-10-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20
To Be Published
8GSA
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BU of 8gsa by Molmil
Solution structure of holo acyl carrier protein A from Enterococcus faecalis
Descriptor: Acyl carrier protein
Authors:Yeon, J, Kim, Y.
Deposit date:2022-09-05
Release date:2023-03-29
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural study of acyl carrier protein of Enterococcus faecalis and its interaction with enzymes in de novo fatty acid synthesis.
Biochem.Biophys.Res.Commun., 637, 2022
4YIR
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BU of 4yir by Molmil
Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
Authors:Min, J.-H, Chen, X, Kim, Y.
Deposit date:2015-03-02
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.0501 Å)
Cite:Kinetic gating mechanism of DNA damage recognition by Rad4/XPC.
Nat Commun, 6, 2015
2MBC
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BU of 2mbc by Molmil
Solution Structure of human holo-PRL-3 in complex with vanadate
Descriptor: Protein tyrosine phosphatase type IVA 3
Authors:Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and backbone dynamics of vanadate-bound PRL-3: comparison of 15N nuclear magnetic resonance relaxation profiles of free and vanadate-bound PRL-3.
Biochemistry, 53, 2014
4EEI
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BU of 4eei by Molmil
Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ...
Authors:Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-28
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.921 Å)
Cite:Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with AMP and Succinate
To be Published
6WIQ
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BU of 6wiq by Molmil
Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2
Descriptor: Non-structural protein 7, Non-structural protein 8
Authors:Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-10
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021

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數據於2024-06-12公開中

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