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7RM3
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BU of 7rm3 by Molmil
Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPGANGAGGQAA
Descriptor: 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, ACETATE ION, ...
Authors:Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2021-07-26
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
8UCH
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BU of 8uch by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
8BDC
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BU of 8bdc by Molmil
Human apo TRPM8 in a closed state (composite map)
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Palchevskyi, S, Czarnocki-Cieciura, M, Vistoli, G, Gervasoni, S, Nowak, E, Beccari, A.R, Nowotny, M, Talarico, C.
Deposit date:2022-10-19
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Structure of human TRPM8 channel.
Commun Biol, 6, 2023
8QJM
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BU of 8qjm by Molmil
SmNuc1 nuclease from Stenotrophomonas maltophilia in complex with cytidine-5'-monophosphate
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, PENTAETHYLENE GLYCOL, S1/P1 Nuclease, ...
Authors:Adamkova, K, Koval, T, Kolenko, P, Dohnalek, J.
Deposit date:2023-09-13
Release date:2024-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate preference, RNA binding and active site versatility of Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study.
Febs J., 2024
8UCG
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BU of 8ucg by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K92A
Descriptor: ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
1J9M
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BU of 1j9m by Molmil
K38H mutant of Streptomyces K15 DD-transpeptidase
Descriptor: CHLORIDE ION, DD-transpeptidase, SODIUM ION
Authors:Fonze, E, Rhazi, N, Nguyen-Disteche, M, Charlier, P.
Deposit date:2001-05-28
Release date:2001-06-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis.
Biochemistry, 42, 2003
6C5B
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BU of 6c5b by Molmil
Crystal Structure Analysis of LaPhzM
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, FORMIC ACID, Methyltransferase, ...
Authors:Beltran, D.G, Schacht, A, Zhang, L.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Functional and Structural Analysis of Phenazine O-Methyltransferase LaPhzM from Lysobacter antibioticus OH13 and One-Pot Enzymatic Synthesis of the Antibiotic Myxin.
ACS Chem. Biol., 13, 2018
7Q6Q
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BU of 7q6q by Molmil
Keap1 compound complex
Descriptor: (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
Authors:Johansson, P.
Deposit date:2021-11-09
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
8BGB
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BU of 8bgb by Molmil
Structure of the citrate-bound extracytoplasmic PAS domain of histidine kinase CitA from Geobacillus thermodenitrificans
Descriptor: CITRATE ANION, Histidine kinase, SODIUM ION
Authors:Becker, S.
Deposit date:2022-10-27
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the citrate-bound extracytoplasmic PAS domain of histidine kinase CitA from Geobacillus thermodenitrificans
To Be Published
8BTY
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BU of 8bty by Molmil
Structure of the active form of ScpB, the C5a-peptidase from Streptococcus agalactiae.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
Authors:Kagawa, T.F, Cooney, J.C, Miclot, T, Cullen, R.
Deposit date:2022-11-30
Release date:2023-11-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 angstrom crystal structure of the C5a peptidase from Streptococcus agalactiae (ScpB) reveals an active site competent for catalysis.
Proteins, 92, 2024
6CXE
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BU of 6cxe by Molmil
Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Wang, J, Zajonc, D.
Deposit date:2018-04-02
Release date:2019-04-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
8R32
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BU of 8r32 by Molmil
Crystal structure of the GluK2 ligand-binding domain in complex with L-glutamate and BPAM344 at 1.60 A resolution
Descriptor: 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:Bay, Y, Jeppesen, M.E, Frydenvang, K, Kastrup, J.S.
Deposit date:2023-11-08
Release date:2024-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The positive allosteric modulator BPAM344 and L-glutamate introduce an active-like structure of the ligand-binding domain of GluK2.
Febs Lett., 598, 2024
8BGY
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BU of 8bgy by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-284a
Descriptor: 1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione, CHLORIDE ION, Methyltransferase Plu4890, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8QK4
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BU of 8qk4 by Molmil
Dehydratase domain (PksJ DH1) from the bacillaene trans-AT PKS
Descriptor: CHLORIDE ION, GLYCEROL, Polyketide synthase PksJ, ...
Authors:Pang, F, Alkhalaf, L.M, Jenner, M.
Deposit date:2023-09-14
Release date:2024-09-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dehydratase domain (PksJ DH1) from the bacillaene trans-AT PKS
To Be Published
8BBS
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BU of 8bbs by Molmil
Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor
Descriptor: (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P.
Deposit date:2022-10-14
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis.
Rsc Med Chem, 14, 2023
8BGZ
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BU of 8bgz by Molmil
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-256
Descriptor: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIF
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BU of 8bif by Molmil
O-Methyltransferase Plu4892 in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
1JLJ
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BU of 1jlj by Molmil
1.6 Angstrom crystal structure of the human neuroreceptor anchoring and molybdenum cofactor biosynthesis protein gephyrin
Descriptor: FORMIC ACID, SODIUM ION, gephyrin
Authors:Schwarz, G, Schrader, N, Mendel, R.R, Hecht, H.-J, Schindelin, H.
Deposit date:2001-07-16
Release date:2001-09-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of human gephyrin and plant Cnx1 G domains: comparative analysis and functional implications.
J.Mol.Biol., 312, 2001
8VDW
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BU of 8vdw by Molmil
X-Ray Crystal Structure of the biotin synthase from V. parvula
Descriptor: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, Biotin synthase, Fe4 H S5, ...
Authors:Lachowicz, J.C, Grove, T.L.
Deposit date:2023-12-18
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Discovery of a Biotin Synthase That Utilizes an Auxiliary 4Fe-5S Cluster for Sulfur Insertion.
J.Am.Chem.Soc., 146, 2024
8BGX
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BU of 8bgx by Molmil
O-Methyltransferase Plu4890 in complex with SAH and AQ-270a
Descriptor: 1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-10-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIJ
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BU of 8bij by Molmil
O-Methyltransferase Plu4894 (mutant I88M, W91L, C97Y, S142L, G146V, Y258M, L270F, S309Y) in complex with SAH
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Methyltransferase Plu4894 mutant I88M, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIC
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BU of 8bic by Molmil
O-Methyltransferase Plu4891 in complex with SAH
Descriptor: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8BIR
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BU of 8bir by Molmil
O-Methyltransferase Plu4895 in complex with SAH and AQ-256
Descriptor: 1,3,8-tris(oxidanyl)anthracene-9,10-dione, CHLORIDE ION, IODIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2022-11-02
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
8UQA
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BU of 8uqa by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 12-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, SODIUM ION, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
7REY
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BU of 7rey by Molmil
MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM
Descriptor: SODIUM ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J.
Deposit date:2021-07-13
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published

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PDB entries from 2024-10-16

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