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8PQF
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BU of 8pqf by Molmil
c-KIT kinase domain in complex with avapritinib derivative 12
Descriptor: Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate
Authors:Teuber, A, Mueller, M.P, Rauh, D.
Deposit date:2023-07-11
Release date:2023-12-27
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQK
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BU of 8pqk by Molmil
APO crystal structure of PDGFRA-T674I kinase domain
Descriptor: Platelet-derived growth factor receptor alpha
Authors:Teuber, A, Mueller, M.P, Rauh, D.
Deposit date:2023-07-11
Release date:2023-12-27
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQD
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BU of 8pqd by Molmil
c-KIT kinase domain in complex with avapritinib derivative 10
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide
Authors:Teuber, A, Mueller, M.P, Rauh, D.
Deposit date:2023-07-11
Release date:2023-12-27
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
4WEC
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BU of 4wec by Molmil
Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-09
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of a Short chain dehydrogenase from Mycobacterium smegmatis
to be published
3K31
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BU of 3k31 by Molmil
Crystal structure of eonyl-(acyl-carrier-protein) reductase from anaplasma phagocytophilum in complex with nad at 1.9a resolution
Descriptor: 1,2-ETHANEDIOL, Enoyl-(Acyl-carrier-protein) reductase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of eonyl-(acyl-carrier-protein) reductase from anaplasma phagocytophilum in complex with nad at 1.9a resolution
to be published
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
6ONA
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BU of 6ona by Molmil
Crystal structure of Influenza hemagglutinin from strain A/Hickox/JY2/1940
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-04-20
Release date:2019-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
2DKV
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BU of 2dkv by Molmil
Crystal structure of class I chitinase from Oryza sativa L. japonica
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, chitinase
Authors:Kezuka, Y, Nishizawa, Y, Watanabe, T, Nonaka, T.
Deposit date:2006-04-14
Release date:2007-05-01
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering.
Proteins, 78, 2010
5IT4
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BU of 5it4 by Molmil
Crystal structure of Mycobacterium avium SerB2 mutant D343N
Descriptor: MAGNESIUM ION, Phosphoserine phosphatase
Authors:Shree, S, Ramachandran, R.
Deposit date:2016-03-16
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Crystal Structure of Mycobacterium avium SerB2 mutant D343N (MAV_3907) at pH 6.6
To be published
5IT0
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BU of 5it0 by Molmil
Crystal structure of Mycobacterium avium SerB2 mutant D343N/D347N
Descriptor: MAGNESIUM ION, Phosphoserine phosphatase
Authors:Shree, S, Ramachandran, R.
Deposit date:2016-03-16
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Crystal Structure of Mycobacterium avium SerB2 (MAV_3907) active site mutant D343N/D347N
To be published
6XDH
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BU of 6xdh by Molmil
Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-06-10
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2
to be published
6XRS
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BU of 6xrs by Molmil
Crystal structure of a GTP-binding protein EngA (Der homolog) from Neisseria gonorrhoeae bound to GDP
Descriptor: CHLORIDE ION, GTPase Der, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-07-13
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a GTP-binding protein EngA (Der homolog) from Neisseria gonorrhoeae bound to GDP
To Be Published
4MPQ
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BU of 4mpq by Molmil
Crystal structure of1-pyrroline-4-hydroxy-2-carboxylate deaminase from Brucella melitensis ATCC 23457
Descriptor: 1,2-ETHANEDIOL, Dihydrodipicolinate synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-09-13
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of1-pyrroline-4-hydroxy-2-carboxylate deaminase from Brucella melitensis ATCC 23457
To be Published
6ONN
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BU of 6onn by Molmil
Crystal structure of 8-amino-7-oxononanoate synthase from Burkholderia phymatum
Descriptor: 8-amino-7-oxononanoate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-04-22
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 8-amino-7-oxononanoate synthase from Burkholderia phymatum
To be published
6OSR
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BU of 6osr by Molmil
Crystal structure of Influenza hemagglutinin from strain A/Melbourne/1/1946(H1N1)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-05-02
Release date:2019-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
5O2M
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BU of 5o2m by Molmil
p130Cas SH3 domain
Descriptor: Breast cancer anti-estrogen resistance 1
Authors:Hexnerova, R, Veverka, V.
Deposit date:2017-05-22
Release date:2017-09-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners.
Sci Rep, 7, 2017
5O2P
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BU of 5o2p by Molmil
p130Cas SH3 domain PTP-PEST peptide chimera
Descriptor: Breast cancer anti-estrogen resistance 1,Tyrosine-protein phosphatase non-receptor type 12
Authors:Hexnerova, R, Veverka, V.
Deposit date:2017-05-22
Release date:2017-09-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners.
Sci Rep, 7, 2017
5O2Q
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BU of 5o2q by Molmil
p130Cas SH3 domain Vinculin peptide chimera
Descriptor: Breast cancer anti-estrogen resistance 1,Vinculin
Authors:Hexnerova, R, Veverka, V.
Deposit date:2017-05-22
Release date:2017-09-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners.
Sci Rep, 7, 2017
5IF8
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BU of 5if8 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-2643 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Descriptor: 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-25
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IFB
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BU of 5ifb by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4719 5-chloro-2-(1H-imidazol-1-yl)aniline
Descriptor: 5-chloro-2-(1H-imidazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-25
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IFZ
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BU of 5ifz by Molmil
Crystal Structure of Ribose-5-phosphate Isomerase from Brucella melitensis 16M
Descriptor: Ribose 5-phosphate isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-26
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Ribose-5-phosphate Isomerase from Brucella melitensis 16M
to be published
5IF7
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BU of 5if7 by Molmil
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to fragment hit EBSI-279 N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Descriptor: DIMETHYL SULFOXIDE, N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Polymerase acidic protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-25
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
To Be Published
5IDY
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BU of 5idy by Molmil
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
to be published
6E54
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BU of 6e54 by Molmil
Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802
Descriptor: (2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, (2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-07-19
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of LpxC from Pseudomonas aeruginosa in complex with ligand PT802
to be published

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PDB entries from 2024-08-28

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