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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
1YCA
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BU of 1yca by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
Deposit date:1993-08-10
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
1YCB
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BU of 1ycb by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
Deposit date:1993-08-10
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
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
5X5Y
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BU of 5x5y by Molmil
A membrane protein complex
Descriptor: Probable ATP-binding component of ABC transporter, Uncharacterized protein
Authors:Luo, Q, Yang, X, Huang, Y.
Deposit date:2017-02-18
Release date:2017-04-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.465 Å)
Cite:Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
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
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
5H6X
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BU of 5h6x by Molmil
The crystal structure of RpoS fragment including a partial region 1.2 and region 2 from intracellular pathogen Legionella pneumophila
Descriptor: GLYCEROL, RNA polymerase sigma factor RpoS, SODIUM ION
Authors:Zhang, N, Chen, X, Gong, X, Ge, H.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution Crystal Structure of RpoS Fragment including a Partial Region 1.2 and Region 2 from the Intracellular Pathogen Legionella pneumophila
Crystals, 8, 2018
5HZR
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BU of 5hzr by Molmil
Crystal structure of MtSnf2
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, SNF2-family ATP dependent chromatin remodeling factor like protein, SODIUM ION, ...
Authors:Chen, Z.C, Xia, X.
Deposit date:2016-02-02
Release date:2016-07-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of chromatin remodeler Swi2/Snf2 in the resting state
Nat.Struct.Mol.Biol., 23, 2016
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
4KIP
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BU of 4kip by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
Descriptor: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-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 (2.27 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
3MVM
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BU of 3mvm by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V
Descriptor: 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2010-05-04
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3MVL
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BU of 3mvl by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K
Descriptor: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2010-05-04
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
7UQ2
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BU of 7uq2 by Molmil
Vs.4 from T4 phage in complex with cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, Vs.4
Authors:Jenson, J.M, Chen, Z.J.
Deposit date:2022-04-18
Release date:2023-02-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ubiquitin-like conjugation by bacterial cGAS enhances anti-phage defence.
Nature, 616, 2023
7WQV
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BU of 7wqv by Molmil
Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ...
Authors:Zha, J, Meng, L, Zhang, X, Li, D.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
7CV6
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BU of 7cv6 by Molmil
RNA methyltransferase METTL4
Descriptor: 2'-O-methyladenosine 5'-(dihydrogen phosphate), Methyltransferase-like protein 2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV8
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BU of 7cv8 by Molmil
RNA methyltransferase METTL4
Descriptor: GLYCEROL, Methyltransferase-like protein 2, SINEFUNGIN
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV9
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BU of 7cv9 by Molmil
RNA methyltransferase METTL4
Descriptor: GLYCEROL, Methyltransferase-like protein 2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7CV7
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BU of 7cv7 by Molmil
RNA methyltransferase METTL4
Descriptor: Methyltransferase-like protein 2, S-ADENOSYLMETHIONINE
Authors:Luo, Q, Ma, J.
Deposit date:2020-08-25
Release date:2021-09-01
Last modified:2022-10-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into molecular mechanism for N6-adenosine methylation by MT-A70 family methyltransferase METTL4
Nat Commun, 13, 2022
7WP0
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BU of 7wp0 by Molmil
Cryo-EM structure of SARS-CoV-2 Delta S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c335_light_IGLV1-40_IGLJ3, Spike protein S1, ...
Authors:Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
Deposit date:2022-01-22
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WP2
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BU of 7wp2 by Molmil
Cryo-EM structure of SARS-CoV-2 C.1.2 S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ...
Authors:Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
Deposit date:2022-01-22
Release date:2022-07-20
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7FDO
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BU of 7fdo by Molmil
Crystal structure of transcription factor CPC in complex with EGL3
Descriptor: CHLORIDE ION, SULFATE ION, Transcription factor CPC, ...
Authors:Wang, B, Luo, Q.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021

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