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1UF8
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BU of 1uf8 by Molmil
Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-Phenylalanine
Descriptor: D-[(AMINO)CARBONYL]PHENYLALANINE, N-carbamyl-D-amino acid amidohydrolase
Authors:Hashimoto, H, Aoki, M, Shimizu, T, Nakai, T, Morikawa, H, Ikenaka, Y, Takahashi, S, Sato, M.
Deposit date:2003-05-26
Release date:2004-06-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of C171A/V236A Mutant of N-carbamyl-D-amino acid amidohydrolase
To be published
1UAN
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BU of 1uan by Molmil
Crystal structure of the conserved protein TT1542 from Thermus thermophilus HB8
Descriptor: hypothetical protein TT1542
Authors:Handa, N, Terada, T, Tame, J.R.H, Park, S.-Y, Kinoshita, K, Ota, M, Nakamura, H, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-03-12
Release date:2003-08-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the conserved protein TT1542 from Thermus thermophilus HB8
PROTEIN SCI., 12, 2003
1UBF
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BU of 1ubf by Molmil
MsREcA-ATPgS complex
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, RecA
Authors:Datta, S, Krishna, R, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2003-04-04
Release date:2003-07-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structures of Mycobacterium smegmatis RecA and Its Nucleotide Complexes
J.BACTERIOL., 185, 2003
2IWE
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BU of 2iwe by Molmil
Structure of a cavity mutant (H117G) of Pseudomonas aeruginosa azurin
Descriptor: 1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE), AZURIN, ZINC ION
Authors:De Jongh, T.E, Van Roon, A.M.M, Prudencio, M, Ubbink, M, Canters, G.W.
Deposit date:2006-06-29
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Click-Chemistry with an Active Site Variant of Azurin
Eur.J.Inorg.Chem., 2006, 2006
2IGQ
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BU of 2igq by Molmil
Human euchromatic histone methyltransferase 1
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, euchromatic histone methyltransferase 1
Authors:Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-09-23
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
2IYN
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BU of 2iyn by Molmil
The co-factor-induced pre-active conformation in PhoB
Descriptor: MAGNESIUM ION, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB
Authors:Sola, M, Drew, D.L, Blanco, A.G, Gomis-Ruth, F.X, Coll, M.
Deposit date:2006-07-19
Release date:2006-08-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Cofactor-Induced Pre-Active Conformation in Phob.
Acta Crystallogr.,Sect.D, 62, 2006
6SGB
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BU of 6sgb by Molmil
mt-SSU assemblosome of Trypanosoma brucei
Descriptor: 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2019-08-03
Release date:2019-09-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
2W05
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BU of 2w05 by Molmil
Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
Authors:Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M.
Deposit date:2008-08-08
Release date:2008-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6YQ1
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BU of 6yq1 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ...
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YR9
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BU of 6yr9 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-19
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
8B2C
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BU of 8b2c by Molmil
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Descriptor: (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid, 3-dehydroquinate dehydratase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2022-09-13
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
8B2A
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BU of 8b2a by Molmil
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Descriptor: (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION, ...
Authors:Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2022-09-13
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
8B2B
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BU of 8b2b by Molmil
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Descriptor: (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, SODIUM ION
Authors:Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2022-09-13
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
Descriptor: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
2W10
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BU of 2w10 by Molmil
Mona SH3C in complex
Descriptor: GRB2-RELATED ADAPTOR PROTEIN 2, PHOSPHATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 23
Authors:Harkiolaki, M, Feller, S.M.
Deposit date:2008-10-13
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
2IK8
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BU of 2ik8 by Molmil
Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
Authors:Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Debreczeni, J, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-10-02
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6YEK
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BU of 6yek by Molmil
Crystal structure of human NEMO apo form
Descriptor: Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, isoform CRA_b
Authors:Garcia-Pardo, J, Akutsu, M, Busse, P, Skenderovic, A, Maculins, T, Dikic, I.
Deposit date:2020-03-25
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms.
Cell Chem Biol, 27, 2020
2WEW
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BU of 2wew by Molmil
Crystal structure of human apoM in complex with myristic acid
Descriptor: 1,2-ETHANEDIOL, APOLIPOPROTEIN M, MYRISTIC ACID
Authors:Sevvana, M, Ahnstrom, J, Egerer-Sieber, C, Dahlback, B, Muller, Y.A.
Deposit date:2009-04-02
Release date:2009-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Serendipitous Fatty Acid Binding Reveals the Structural Determinants for Ligand Recognition in Apolipoprotein M.
J.Mol.Biol., 393, 2009
6Y99
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BU of 6y99 by Molmil
hSTING mutant R232K in complex with 2',3'-cGAMP
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Boura, E, Smola, M.
Deposit date:2020-03-06
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
2IEZ
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BU of 2iez by Molmil
Crystal Structure of mouse Rab27b bound to GDP in monoclinic space group
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B
Authors:Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S.
Deposit date:2006-09-19
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the small GTPase Rab27b shows an unexpected swapped dimer
Acta Crystallogr.,Sect.D, 63, 2007
6YDB
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BU of 6ydb by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP
Descriptor: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-20
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YDZ
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BU of 6ydz by Molmil
Human wtSTING in complex with 3',3'-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, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-23
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YEA
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BU of 6yea by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP
Descriptor: 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
8B3A
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BU of 8b3a by Molmil
catalytic amyloid fibril formed by Ac-LHLHLRL-amide
Descriptor: ACE-LEU-HIS-LEU-HIS-LEU-ARG-LEU-NH2
Authors:Heerde, T, Schmidt, M, Faendrich, M.
Deposit date:2022-09-16
Release date:2023-04-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of a catalytic amyloid fibril.
Sci Rep, 13, 2023
2J6D
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BU of 2j6d by Molmil
CONKUNITZIN-S2 - CONE SNAIL NEUROTOXIN - DENOVO STRUCTURE
Descriptor: CONKUNITZIN-S2
Authors:Korukottu, J, Bayrhuber, M, Montaville, P, Vijayan, V, Jung, Y.-S, Becker, S, Zweckstetter, M.
Deposit date:2006-09-27
Release date:2007-01-16
Last modified:2021-06-23
Method:SOLUTION NMR
Cite:Fast High-Resolution Protein Structure Determination by Using Unassigned NMR Data.
Angew.Chem.Int.Ed.Engl., 46, 2007

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