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6XMA
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BU of 6xma by Molmil
Crystal structure of iron-bound LSD4 from Sphingobium sp. strain SYK-6
Descriptor: Dioxygenase, FE (III) ION, SULFATE ION
Authors:Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
Deposit date:2020-06-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021
6XM9
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BU of 6xm9 by Molmil
Crystal structure of vanillin bound to Co-LSD4 from Sphingobium sp. strain SYK-6
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, ACETATE ION, COBALT (II) ION, ...
Authors:Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
Deposit date:2020-06-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021
8EGI
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BU of 8egi by Molmil
X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-09-12
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
6XRB
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BU of 6xrb by Molmil
Crystal structure of SciW from Salmonella typhimurium
Descriptor: SciW, TRIETHYLENE GLYCOL
Authors:Sachar, K, Ahmad, S, Whitney, J.C, Prehna, G.
Deposit date:2020-07-11
Release date:2020-12-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis for effector transmembrane domain recognition by type VI secretion system chaperones.
Elife, 9, 2020
6X74
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BU of 6x74 by Molmil
Rev1 Mg2+-facilitated Product Complex with no monophosphates
Descriptor: CHLORIDE ION, DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*C*)-3'), DNA (5'-D(P*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), ...
Authors:Weaver, T.M, Freudenthal, B.D.
Deposit date:2020-05-29
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Visualizing Rev1 catalyze protein-template DNA synthesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X7D
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BU of 6x7d by Molmil
BRD4 Bromodomain 1 in complex with multi-action inhibitor SF2523P
Descriptor: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4
Authors:Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-29
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets.
Sci Rep, 10, 2020
6WC1
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BU of 6wc1 by Molmil
Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase
Descriptor: SARS-coV-2 Non-structural protein 9, SULFATE ION
Authors:Littler, D.R, Gully, B.S, Rossjohn, J.
Deposit date:2020-03-28
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a putative peptide-binding site at the dimer interface of the SARS-CoV-2 Nsp9 RNA-replicase.
To Be Published
6WJ8
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BU of 6wj8 by Molmil
Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Klebsiella pneumoniae in complex with PLP
Descriptor: 4-aminobutyrate aminotransferase PuuE
Authors:Stogios, P.J, Evdokimova, E, McChesney, C, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-13
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Klebsiella pneumoniae in complex with PLP
To Be Published
4DO9
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BU of 4do9 by Molmil
Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: stereoselective binding of r-isomer
Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, C C G A C C G C G C A T C A G C, CHLORIDE ION, ...
Authors:Batra, V.K.
Deposit date:2012-02-09
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
6XI5
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BU of 6xi5 by Molmil
Crystal structure of human N-acetylserotonin O-methyltransferase-like protein soaked with PDHPTAO
Descriptor: Probable bifunctional dTTP/UTP pyrophosphatase/methyltransferase protein, SULFATE ION
Authors:Stogios, P.J, Evdokimova, E, Yakunin, A, Savchenko, A.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of human N-acetylserotonin O-methyltransferase-like protein soaked with PDHPTAO
To Be Published
6XI4
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BU of 6xi4 by Molmil
Crystal structure of Maf domain of human N-acetylserotonin O-methyltransferase-like protein soaked with TFBQ
Descriptor: CHLORIDE ION, Probable bifunctional dTTP/UTP pyrophosphatase/methyltransferase protein, SULFATE ION
Authors:Stogios, P.J, Evdokimova, E, Yakunin, A, Savchenko, A.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of Maf domain of human N-acetylserotonin O-methyltransferase-like protein soaked with TFBQ
To Be Published
6XNE
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BU of 6xne by Molmil
GCN4-p1 Peptide Trimer with p-methylphenylalanine residue at position 16 (me-F16)
Descriptor: GCN4-p1 Peptide with A16, GCN4-p1 Peptide with me-F16, MAGNESIUM ION, ...
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
8VFI
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BU of 8vfi by Molmil
Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Oden, P.N, Ryan, B.J, Freudenthal, B.D.
Deposit date:2023-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8VM2
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BU of 8vm2 by Molmil
Crystal Structure of NRAS Q61K bound to GTP
Descriptor: GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gebregiworgis, T, Chan, J.Y.L, Kuntz, D.A, Prive, G.G, Marshall, C.B, Ikura, M.
Deposit date:2024-01-12
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of NRAS Q61K with a ligand-induced pocket near switch II.
Eur J Cell Biol, 103, 2024
4E2O
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BU of 4e2o by Molmil
Crystal structure of alpha-amylase from Geobacillus thermoleovorans, GTA, complexed with acarbose
Descriptor: 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha-amylase, CALCIUM ION, ...
Authors:Mok, S.C, Teh, A.H, Saito, J.A, Najimudin, N, Alam, M.
Deposit date:2012-03-09
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Crystal structure of a compact alpha-amylase from Geobacillus thermoleovorans.
Enzyme.Microb.Technol., 53, 2013
6XNM
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BU of 6xnm by Molmil
GCN4-p1 Peptide Trimer with tyrosine residue at position 16
Descriptor: GCN4-p1 peptide with A16, GCN4-p1 peptide with Y16, SODIUM ION
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-03
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
8VFF
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BU of 8vff by Molmil
Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Oden, P.N, Ryan, B.J, Freudenthal, B.D.
Deposit date:2023-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
6XNF
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BU of 6xnf by Molmil
GCN4-p1 Peptide Trimer with Tetrafluoroiodophenylalanine residue at position 16 (TFI-F16)
Descriptor: GCN4-p1 peptide with A16, GCN4-p1 peptide with TFI-F16, SODIUM ION
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
6XKS
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BU of 6xks by Molmil
Crystal structure of domain A from the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) of Salmonella typhimurium
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Histidine ABC transporter substrate-binding protein HisJ
Authors:Romero-Romero, S, Berrocal, T, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A.
Deposit date:2020-06-27
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thermodynamic and kinetic analysis of the LAO binding protein and its isolated domains reveal non-additivity in stability, folding and function.
Febs J., 2023
6XR2
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BU of 6xr2 by Molmil
Computationally designed right-handed alpha/alpha homotrimeric toroid with 3 repeats per subunit
Descriptor: dTor_3x57R
Authors:Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
Deposit date:2020-07-10
Release date:2021-07-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
8WKL
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BU of 8wkl by Molmil
Rauvolfia serpentina strictosidine synthase (RsSTR) in complex with a non-reactive tryptamine substitute crystallized in P1211 space group
Descriptor: 2-(2-methyl-1H-indol-3-yl)ethanamine, DI(HYDROXYETHYL)ETHER, Strictosidine synthase
Authors:Nitin, K, Rajakumara, E.
Deposit date:2023-09-28
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Proxy-approach in understanding the bisubstrate activity of strictosidine synthases.
Int.J.Biol.Macromol., 262, 2024
6XR1
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BU of 6xr1 by Molmil
Computationally designed right-handed alpha/alpha single-chain toroid with 9 repeats
Descriptor: dTor_9x57R
Authors:Hallinan, J.P, Doyle, L, Bradley, P, Stoddard, B.L.
Deposit date:2020-07-10
Release date:2021-07-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of functionalised circular tandem repeat proteins with longer repeat topologies and enhanced subunit contact surfaces.
Commun Biol, 4, 2021
5IUM
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BU of 5ium by Molmil
Crystal structure of phosphorylated DesKC
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Trajtenberg, F, Buschiazzo, A.
Deposit date:2016-03-18
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.162 Å)
Cite:Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
6X71
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BU of 6x71 by Molmil
Rev1 Mg2+-facilitated Intermediate complex with reactant dCTP and product dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*C*(MG))-3'), ...
Authors:Weaver, T.M, Freudenthal, B.D.
Deposit date:2020-05-29
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Visualizing Rev1 catalyze protein-template DNA synthesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XS3
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BU of 6xs3 by Molmil
X-ray structure of the monoclinic crystal form at 2.48 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 298 K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
Authors:McPherson, A.
Deposit date:2020-07-14
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020

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