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7X5P
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BU of 7x5p by Molmil
Truncated VhChiP (1-19aa) in complex with doxycycline
Descriptor: (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, ...
Authors:Sanram, S, Robinson, C.R, Aunkham, A, Suginta, W.
Deposit date:2022-03-05
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and function of truncated VhChiP
To Be Published
6SS7
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BU of 6ss7 by Molmil
Human Leukocyte Antigen Class I A02 Carrying LLWAGPMAV
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Bovay, A.
Deposit date:2019-09-06
Release date:2020-07-15
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
5UPS
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BU of 5ups by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand
Descriptor: 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
6SU0
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BU of 6su0 by Molmil
Crystal structure of dimethylated RSLex in complex with cucurbit[7]uril
Descriptor: Fucose-binding lectin protein, SODIUM ION, cucurbit[7]uril, ...
Authors:Guagnini, F, Engilberge, S, Crowley, P.B.
Deposit date:2019-09-12
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Engineered assembly of a protein-cucurbituril biohybrid.
Chem.Commun.(Camb.), 56, 2020
5V4P
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BU of 5v4p by Molmil
Saccharomyces cerevisiae OYE 3 soaked with p-hydroxybenzaldehyde
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 3, ...
Authors:Stewart, J, Powell III, R.W.
Deposit date:2017-03-10
Release date:2018-03-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Saccharomyces cerevisiae OYE 3 soaked with p-hydroxybenzaldehyde
To Be Published
2FMP
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BU of 2fmp by Molmil
DNA Polymerase beta with a terminated gapped DNA substrate and ddCTP with sodium in the catalytic site
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Batra, V.K, Beard, W.A, Shock, D.D, Krahn, J.M, Pedersen, L.C, Wilson, S.H.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Magnesium-induced assembly of a complete DNA polymerase catalytic complex.
Structure, 14, 2006
5VLP
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BU of 5vlp by Molmil
PCSK9 complex with LDLR antagonist peptide and Fab7G7
Descriptor: Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
6UF0
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BU of 6uf0 by Molmil
Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinolin-1-yl)-N-((4-methoxyphenyl)sulfonyl)glycine bound to human Keap1 Kelch domain
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, Kelch-like ECH-associated protein 1, ...
Authors:Lazzara, P.R, David, B.P, Ankireddy, A, Richardson, B.G, Dye, K, Ratia, K.M, Reddy, S.P, Moore, T.W.
Deposit date:2019-09-23
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Isoquinoline Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-like 2 (KEAP1-NRF2) Inhibitors with High Metabolic Stability.
J.Med.Chem., 63, 2020
5VJF
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BU of 5vjf by Molmil
Class II fructose-1,6-bisphosphate aldolase of Helicobacter pylori with DHAP
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, Fructose-bisphosphate aldolase, ...
Authors:Coincon, M, Sygusch, J.
Deposit date:2017-04-19
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
7XXK
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BU of 7xxk by Molmil
Crystal structure of SARS-CoV-2 N-CTD in complex with GMP
Descriptor: CHLORIDE ION, GUANINE, GUANOSINE, ...
Authors:Zhou, R.J, Ni, X.C, Lei, J.
Deposit date:2022-05-30
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of SARS-CoV-2 N-CTD in complex with GMP
To Be Published
5WMP
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BU of 5wmp by Molmil
Crystal Structure of HLA-B7 in complex with TPR, a CMV peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-30
Release date:2018-06-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
6GUY
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BU of 6guy by Molmil
Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation
Descriptor: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
Authors:Moraes, I, Judge, P.J, Axford, D, Bada Juarez, J.F, Vinals, J, Watts, A.
Deposit date:2018-06-19
Release date:2019-10-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation
To Be Published
5WNZ
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BU of 5wnz by Molmil
DNA polymerase beta substrate complex with incoming 5-FodCTP
Descriptor: 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ...
Authors:Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D.
Deposit date:2017-08-01
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
5WN2
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BU of 5wn2 by Molmil
APE1 exonuclease substrate complex with phosphoglycolate
Descriptor: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, CALCIUM ION, ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2017-07-31
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Molecular snapshots of APE1 proofreading mismatches and removing DNA damage.
Nat Commun, 9, 2018
5WO0
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BU of 5wo0 by Molmil
DNA polymerase beta substrate complex with incoming 5-FodUTP
Descriptor: 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ...
Authors:Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D.
Deposit date:2017-08-01
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
6HWR
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BU of 6hwr by Molmil
Red kidney bean purple acid phosphatase in complex with adenosine divanadate
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feder, D, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2018-10-13
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
6HTK
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BU of 6htk by Molmil
X-ray structure of the tryptophan lyase NosL in complex with (R)-(+)-indoline-2-carboxylate
Descriptor: 1H-indole-2-carboxylic acid, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ...
Authors:Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
6UXC
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BU of 6uxc by Molmil
1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
Descriptor: CT253, SODIUM ION
Authors:Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
Deposit date:2019-11-07
Release date:2020-11-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:1.65A resolution structure of the hypothetical protein CT253 from Chlamydia trachomatis
To be published
6TA7
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BU of 6ta7 by Molmil
CRYSTAL STRUCTURE OF HUMAN G3BP1-NTF2 IN COMPLEX WITH HUMAN CAPRIN1-DERIVED SOLOMON MOTIF
Descriptor: CHLORIDE ION, Caprin-1, Ras GTPase-activating protein-binding protein 1, ...
Authors:Schulte, T, Achour, A, Panas, M.D, McInerney, G.M.
Deposit date:2019-10-29
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Caprin-1 binding to the critical stress granule protein G3BP1 is regulated by pH
Biorxiv, 2021
5UJU
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BU of 5uju by Molmil
Crystal structure of NAD-dependent aldehyde dehydrogenase from Burkholderia multivorans
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, NAD-dependent aldehyde dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-01-19
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of NAD-dependent aldehyde dehydrogenase from Burkholderia multivorans
TO BE PUBLISHED
6T5I
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BU of 6t5i by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2
Descriptor: DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ...
Authors:Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E.
Deposit date:2019-10-16
Release date:2021-10-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
6TVP
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BU of 6tvp by Molmil
Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM
Descriptor: Alpha-maltose-1-phosphate synthase, SODIUM ION
Authors:Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
Deposit date:2020-01-10
Release date:2020-04-22
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM.
Acta Crystallogr.,Sect.F, 76, 2020
6TVL
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BU of 6tvl by Molmil
Hen Egg White Lysozyme in complex with a "half sandwich"-type Ru(II) coordination compound
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
Deposit date:2020-01-10
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
J.Biol.Inorg.Chem., 25, 2020
6UGK
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BU of 6ugk by Molmil
CRYSTAL STRUCTURE OF CIRCULARLY PERMUTED HUMAN TASPASE-1
Descriptor: CHLORIDE ION, SODIUM ION, Threonine aspartase 1,Threonine aspartase 1
Authors:Edwards, T.E, Delker, S.L.
Deposit date:2019-09-26
Release date:2021-03-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into the function of the catalytically active human Taspase1.
Structure, 29, 2021
6HDZ
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BU of 6hdz by Molmil
Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ...
Authors:Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-08-20
Release date:2019-12-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020

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PDB entries from 2024-08-07

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