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3MAL
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BU of 3mal by Molmil
Crystal structure of the SDF2-like protein from Arabidopsis thaliana
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Stromal cell-derived factor 2-like protein
Authors:Ravaud, S, Radzimanowski, J, Sinning, I.
Deposit date:2010-03-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Arabidopsis stromal-derived Factor2 (SDF2) is a crucial target of the unfolded protein response in the endoplasmic reticulum.
J.Biol.Chem., 285, 2010
8XNN
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BU of 8xnn by Molmil
Respiratory complex Peripheral Arm of CI, open form A, focus-refined map of type I, Wild type mouse under thermoneutral temperature
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNU
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BU of 8xnu by Molmil
Respiratory complex Peripheral Arm of CI, open form A, focus-refined map of type IB, Wild type mouse under Cold Acclimation
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, mitochondrial, ...
Authors:Shin, Y.-C, Liao, M.
Deposit date:2023-12-30
Release date:2024-10-30
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
9H6E
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BU of 9h6e by Molmil
Complex of Histidine-containing phosphotransfer 1 (AHP1) and Response regulator 1 (ARR1) from A. thaliana
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Histidine-containing phosphotransfer protein 1, ...
Authors:Tran, L.H, Ruszkowski, M.
Deposit date:2024-10-24
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:ARR1 and AHP interactions in the multi-step phosphorelay system.
Front Plant Sci, 16, 2025
5GJD
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BU of 5gjd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2
Descriptor: 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
8BW5
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BU of 8bw5 by Molmil
X-ray structure of the complex between human alpha thrombin and the duplex/quadruplex aptamer M08s-1_41mer
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, M08s-1_41mer, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Troisi, R, Napolitano, V, Sica, F.
Deposit date:2022-12-06
Release date:2023-07-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Steric hindrance and structural flexibility shape the functional properties of a guanine-rich oligonucleotide.
Nucleic Acids Res., 51, 2023
5ZCM
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BU of 5zcm by Molmil
Crystal structure of Xylose reductase from Debaryomyces nepalensis in complex with NADP-DTT adduct
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Manoj, N.
Deposit date:2018-02-19
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of yeast xylose reductase in complex with a novel NADP-DTT adduct provides insights into substrate recognition and catalysis.
FEBS J., 285, 2018
5OOU
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BU of 5oou by Molmil
Designed Ankyrin Repeat Protein (DARPin) YTRL-1 selected by directed evolution against Lysozyme
Descriptor: DARPin YTRL-1
Authors:Fischer, G, Hogan, B.J, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M.
Deposit date:2017-08-08
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Designed Ankyrin Repeat Protein (DARPin) YTRL-1 selected by directed evolution against Lysozyme
To be published
6QLV
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BU of 6qlv by Molmil
Crystal structure of W200H UbiX in complex with a geranyl-FMN N5 adduct
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
1JLT
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BU of 1jlt by Molmil
Vipoxin Complex
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHOLIPASE A2, ...
Authors:Banumathi, S, Rajashankar, K.R, Notzel, C, Aleksiev, B, Singh, T.P, Genov, N, Betzel, C.
Deposit date:2001-07-16
Release date:2001-10-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the neurotoxic complex vipoxin at 1.4 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
5T6W
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BU of 5t6w by Molmil
HLA-B*57:01 presenting SSTRGISQLW
Descriptor: Beta-2-microglobulin, Decapeptide: SER-SER-THR-ARG-GLY-ILE-SER-GLN-LEU-TRP, GLYCEROL, ...
Authors:Pymm, P, Rossjohn, J, Vivian, J.P.
Deposit date:2016-09-01
Release date:2017-03-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
2WWY
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BU of 2wwy by Molmil
Structure of human RECQ-like helicase in complex with a DNA substrate
Descriptor: 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ...
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2009-10-30
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures
Proc.Natl.Acad.Sci.USA, 112, 2015
9FPD
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BU of 9fpd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with compound S1
Descriptor: 1,2-ETHANEDIOL, 6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Scheufler, C, Lammens, A.
Deposit date:2024-06-13
Release date:2024-12-04
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Identification of TAK-756, A Potent TAK1 Inhibitor for the Treatment of Osteoarthritis through Intra-Articular Administration.
J.Med.Chem., 67, 2024
5TB1
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BU of 5tb1 by Molmil
Structure of rabbit RyR1 (EGTA-only dataset, class 1)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J.
Deposit date:2016-09-10
Release date:2016-10-12
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
1OSW
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BU of 1osw by Molmil
The Stem of SL1 RNA in HIV-1: Structure and Nucleocapsid Protein Binding for a 1X3 Internal Loop
Descriptor: 5'-R(*GP*GP*AP*GP*GP*CP*GP*CP*UP*AP*CP*GP*GP*CP*GP*AP*GP*GP*CP*UP*CP*CP*A)-3'
Authors:Yuan, Y, Kerwood, D.J, Paoletti, A.C, Shubsda, M.F, Borer, P.N.
Deposit date:2003-03-20
Release date:2003-05-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Stem of SL1 RNA in HIV-1: Structure and Nucleocapsid Protein Binding for a 1X3 Internal Loop
Biochemistry, 42, 2003
5HVL
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BU of 5hvl by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and validoxylamine A
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], SULFATE ION, ...
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-28
Release date:2017-05-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5C0I
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BU of 5c0i by Molmil
HAL-A02 carrying RQFGPDFPTI
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
9FEA
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BU of 9fea by Molmil
Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-17
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
8PQE
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BU of 8pqe by Molmil
c-KIT kinase domain in complex with avapritinib derivative 11
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2023-07-11
Release date:2023-12-27
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
9FE8
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BU of 9fe8 by Molmil
Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-17
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
5AL3
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BU of 5al3 by Molmil
Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one
Descriptor: (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-06
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
9FDV
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BU of 9fdv by Molmil
Crystal Structure of reduced NuoEF variant R66G(NuoF) from Aquifex aeolicus
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-17
Release date:2024-07-17
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9FE5
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BU of 9fe5 by Molmil
Crystal Structure of NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-17
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9FIL
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BU of 9fil by Molmil
Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus bound to NAD+
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-29
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
9FIJ
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BU of 9fij by Molmil
Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S.
Deposit date:2024-05-29
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024

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