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5YFE
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BU of 5yfe by Molmil
Enzymatic and structural characterization of the poly (ethylene terephthalate) hydrolase PETase from I. sakaiensis
Descriptor: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Bao, R, He, L.H, Liu, B.
Deposit date:2017-09-21
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis.
Chembiochem, 2018
3I6L
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BU of 3i6l by Molmil
Newly identified epitope N1 derived from SARS-CoV N protein complexed with HLA-A*2402
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Liu, J.W.
Deposit date:2009-07-07
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel immunodominant peptide presentation strategy: a featured HLA-A*2402-restricted cytotoxic T-lymphocyte epitope stabilized by intrachain hydrogen bonds from severe acute respiratory syndrome coronavirus nucleocapsid protein
J.Virol., 84, 2010
3I6G
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BU of 3i6g by Molmil
Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Liu, J.
Deposit date:2009-07-07
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes.
J.INFECT.DIS., 202, 2010
7VUP
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BU of 7vup by Molmil
Structure of NF-kB p52 homodimer bound to +1/-1 swap P-Selectin kB DNA fragment
Descriptor: DNA (5'-D(*AP*AP*GP*GP*GP*GP*GP*AP*GP*TP*CP*CP*CP*CP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*AP*CP*TP*CP*CP*CP*CP*CP*TP*T)-3'), Nuclear factor NF-kappa-B p52 subunit
Authors:Meshcheryakov, V.A, Wang, V.Y.-F.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
7VUQ
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BU of 7vuq by Molmil
Structure of NF-kB p52 homodimer bound to A/T-centric P-Selectin kB DNA fragment
Descriptor: DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*TP*TP*AP*CP*CP*CP*CP*CP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*GP*GP*GP*GP*GP*TP*AP*AP*CP*CP*CP*CP*TP*TP*G)-3'), Nuclear factor NF-kappa-B p52 subunit
Authors:Meshcheryakov, V.A, Wang, V.Y.-F.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
1VRH
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BU of 1vrh by Molmil
HRV14/SDZ 880-061 COMPLEX
Descriptor: 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14
Authors:Oren, D.A, Zhang, A, Arnold, E.
Deposit date:1996-02-26
Release date:1997-02-12
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
7W7L
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BU of 7w7l by Molmil
Structure of NF-kB p52 homodimer bound to 13-mer A/T-centric P-Selectin kB DNA fragment
Descriptor: DNA (5'-D(*AP*GP*GP*GP*GP*TP*TP*AP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*GP*TP*AP*AP*CP*CP*CP*CP*T)-3'), Nuclear factor NF-kappa-B p52 subunit
Authors:Meshcheryakov, V.A, Wang, V.Y.-F.
Deposit date:2021-12-05
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
4OFC
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BU of 4ofc by Molmil
2.0 Angstroms X-ray crystal structure of human 2-amino-3-carboxymuconate-6-semialdehye decarboxylase
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
Authors:Huo, L, Liu, F, Iwaki, H, Chen, L, Hasegawa, Y, Liu, A.
Deposit date:2014-01-14
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
4IH3
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BU of 4ih3 by Molmil
2.5 Angstroms X-ray crystal structure of of human 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase in complex with dipicolinic acid
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, PYRIDINE-2,6-DICARBOXYLIC ACID, ZINC ION
Authors:Huo, L, Liu, A.
Deposit date:2012-12-18
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
4IGN
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BU of 4ign by Molmil
2.32 Angstrom X-ray Crystal structure of R47A mutant of human ACMSD
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
Authors:Liu, F, Liu, A.
Deposit date:2012-12-17
Release date:2014-05-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.329 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
4KIN
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BU of 4kin by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
Descriptor: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
4KIQ
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BU of 4kiq by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
Descriptor: Mitogen-activated protein kinase 14, ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
2G1R
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BU of 2g1r by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G1Y
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BU of 2g1y by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
6IKJ
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BU of 6ikj by Molmil
Crystal structure of YfiB(F48S)
Descriptor: GLYCEROL, SULFATE ION, YfiB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-16
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 506, 2018
2G1O
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BU of 2g1o by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE, Renin
Authors:Holsworth, D.D, Zhanga, E.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G26
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BU of 2g26 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G27
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BU of 2g27 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G1S
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BU of 2g1s by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G24
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BU of 2g24 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
BIOORG.MED.CHEM.LETT., 16, 2006
6IKK
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BU of 6ikk by Molmil
Crystal structure of YfiB(L43P) in complex with YfiR
Descriptor: SULFATE ION, YfiB, YfiR
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-16
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 506, 2018
6IKI
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BU of 6iki by Molmil
Crystal structure of YfiB(W55L)
Descriptor: GLYCEROL, SULFATE ION, YfiB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-16
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 506, 2018
2G20
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BU of 2g20 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ketopiperazine-based renin inhibitors: optimization of the
Bioorg.Med.Chem.Lett., 16, 2006
2G22
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BU of 2g22 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2G1N
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BU of 2g1n by Molmil
Ketopiperazine-based renin inhibitors: Optimization of the "C" ring
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE, Renin
Authors:Holsworth, D.D.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ketopiperazine-based renin inhibitors: Optimization of the "C" ring
BIOORG.MED.CHEM.LETT., 16, 2006

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