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4EFB
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BU of 4efb by Molmil
Crystal structure of DNA ligase
Descriptor: 4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ...
Authors:Wei, Y, Wang, T, Charifson, P, Xu, W.
Deposit date:2012-03-29
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of DNA ligase
To be Published
8OV1
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BU of 8ov1 by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with ADP
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D.
Deposit date:2023-04-25
Release date:2023-05-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
7MD4
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BU of 7md4 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists
Descriptor: Insulin B chain, Insulin chain A, Isoform Short of Insulin receptor, ...
Authors:Gomez-Llorente, Y, Zhou, H, Scapin, G.
Deposit date:2021-04-03
Release date:2022-02-23
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
6X46
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BU of 6x46 by Molmil
NMR solution structure of Asterix/Gtsf1 from mouse (CHHC zinc finger domains)
Descriptor: Gametocyte-specific factor 1, ZINC ION
Authors:Ipsaro, J.J, O'Brien, P.A, Bhattacharya, S, Palmer III, A.G, Joshua-Tor, L.
Deposit date:2020-05-22
Release date:2021-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Asterix/Gtsf1 links tRNAs and piRNA silencing of retrotransposons.
Cell Rep, 34, 2021
6OM4
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BU of 6om4 by Molmil
The structure of Microcin C7 biosynthetic enzyme MccB in complex with N-formylated MccA
Descriptor: 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, MccB protein, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-04-18
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biosynthesis of the RiPP trojan horse nucleotide antibiotic microcin C is directed by theN-formyl of the peptide precursor.
Chem Sci, 10, 2019
6OFC
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BU of 6ofc by Molmil
Crystal structure of M. tuberculosis glutamine-dependent NAD+ synthetase complexed with Sulfonamide derivative 1, pyrophosphate, and glutamine
Descriptor: 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine, CHLORIDE ION, GLUTAMINE, ...
Authors:Chuenchor, W, Doukov, T.I, Gerratana, B.
Deposit date:2019-03-28
Release date:2020-01-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases.
Nat Commun, 11, 2020
8POQ
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BU of 8poq by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Palencia, A, Lukarska, M.
Deposit date:2023-07-05
Release date:2024-06-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
6PNL
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BU of 6pnl by Molmil
Structure of Epimerase Mth375 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of a UDP-GALE 4-epimerase (Mth375) from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus
To Be Published
8PKB
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BU of 8pkb by Molmil
Staphylococcus aureus endonuclease IV with bound phosphate
Descriptor: CHLORIDE ION, FE (III) ION, PHOSPHATE ION, ...
Authors:Saper, M, Kirillov, S, Rouvinski, A.
Deposit date:2023-06-26
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
6PFK
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BU of 6pfk by Molmil
PHOSPHOFRUCTOKINASE, INHIBITED T-STATE
Descriptor: 2-PHOSPHOGLYCOLIC ACID, PHOSPHOFRUCTOKINASE
Authors:Evans, P.R, Schirmer, T, Auer, M.
Deposit date:1996-01-04
Release date:1996-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the allosteric behaviour of phosphofructokinase.
Nature, 343, 1990
6QA7
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BU of 6qa7 by Molmil
Glycogen Phosphorylase b in complex with 29
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
6QA6
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BU of 6qa6 by Molmil
Glycogen Phosphorylase b in complex with 30
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
6QA8
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BU of 6qa8 by Molmil
Glycogen Phosphorylase b in complex with 28
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
8AD8
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BU of 8ad8 by Molmil
Flavin-dependent tryptophan 6-halogenase Thal in complex with a D-Trp-Ser dipeptide
Descriptor: D-tryptophyl-L-serine, GLYCEROL, PHOSPHATE ION, ...
Authors:Gafe, S, Moritzer, A.C, Montua, N, Sewald, N, Niemann, H.H.
Deposit date:2022-07-08
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Enzymatic Late-Stage Halogenation of Peptides.
Chembiochem, 24, 2023
8AD7
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BU of 8ad7 by Molmil
Flavin-dependent tryptophan 6-halogenase Thal in complex with D-Trp
Descriptor: D-TRYPTOPHAN, GLYCEROL, PHOSPHATE ION, ...
Authors:Moritzer, A.C, Niemann, H.H.
Deposit date:2022-07-08
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Enzymatic Late-Stage Halogenation of Peptides.
Chembiochem, 24, 2023
7Y94
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BU of 7y94 by Molmil
Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with Adenine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENINE, ...
Authors:Yadav, P, Kushwaha, G.S, Bhavesh, N.S.
Deposit date:2022-06-24
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with Adenine
To Be Published
1W46
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BU of 1w46 by Molmil
P4 protein from Bacteriophage PHI12 in complex with ADP and MG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4
Authors:Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I.
Deposit date:2004-07-22
Release date:2004-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
1W47
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BU of 1w47 by Molmil
P4 protein from Bacteriophage PHI12 in complex with ADP and MN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, NTPASE P4
Authors:Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I.
Deposit date:2004-07-22
Release date:2004-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
1W4C
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BU of 1w4c by Molmil
P4 protein from Bacteriophage PHI12 apo state
Descriptor: NTPASE P4
Authors:Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I.
Deposit date:2004-07-22
Release date:2004-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
3QTT
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BU of 3qtt by Molmil
Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Complexed with Beta-gamma ATP and Beta-alanine
Descriptor: BETA-ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-02-23
Release date:2011-03-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Complexed with Beta-gamma ATP and Beta-alanine.
To be Published
7R6K
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BU of 7r6k by Molmil
State E2 nucleolar 60S ribosomal intermediate - Model for Noc2/Noc3 region
Descriptor: 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ...
Authors:Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P.
Deposit date:2021-06-22
Release date:2022-11-09
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
6KVG
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BU of 6kvg by Molmil
The solution structure of human Orc6
Descriptor: Origin recognition complex subunit 6
Authors:Liu, C, Xu, N, You, Y, Zhu, G.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA replication origin recognition by human Orc6 protein binding with DNA.
Nucleic Acids Res., 48, 2020
2MDB
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BU of 2mdb by Molmil
Tachyplesin I in the presence of lipopolysaccharide
Descriptor: Tachyplesin-1
Authors:Kushibiki, T, Kamiya, M, Aizawa, T, Kumaki, Y, Kikukawa, T, Mizuguchi, M, Demura, M, Kawabata, S.I, Kawano, K.
Deposit date:2013-09-09
Release date:2014-02-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Interaction between tachyplesin I, an antimicrobial peptide derived from horseshoe crab, and lipopolysaccharide.
Biochim.Biophys.Acta, 1844, 2014
7TFF
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BU of 7tff by Molmil
Crystal structure of human platelet phosphofructokinase-1 mutant- D564N
Descriptor: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ...
Authors:Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S.
Deposit date:2022-01-06
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity.
Biochem.J., 480, 2023
3PRH
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BU of 3prh by Molmil
tryptophanyl-tRNA synthetase Val144Pro mutant from B. subtilis
Descriptor: Tryptophanyl-tRNA synthetase
Authors:Antonczak, A.K, Simova, Z, Yonemoto, I, Bochtler, M, Piasecka, A, Czapinska, H, Brancale, A, Tippmann, E.M.
Deposit date:2010-11-29
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Importance of single molecular determinants in the fidelity of expanded genetic codes.
Proc.Natl.Acad.Sci.USA, 108, 2011

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