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9ENT
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BU of 9ent by Molmil
SSX structure of Autotaxin in cryogenic conditions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S.
Deposit date:2024-03-13
Release date:2024-07-31
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
9FI9
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BU of 9fi9 by Molmil
Human PIF + Z48847594 (OCCUPANCY 0.7)
Descriptor: ATP-dependent DNA helicase PIF1, MAGNESIUM ION, N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, ...
Authors:Bax, B.D, Sanders, C.M, Antson, A.A, Brandao-Neto, J.
Deposit date:2024-05-28
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Structure-based discovery of first inhibitors targeting the helicase activity of human PIF1
Nucleic Acids Research, 2024
6QMQ
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BU of 6qmq by Molmil
NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
Descriptor: Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma, ...
Authors:Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S.
Deposit date:2019-02-08
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
8VL8
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BU of 8vl8 by Molmil
Salmonella enterica Typhimurium taxis to serine and repellents (Tsr) ligand-binding domain with L-Ser, pH 7
Descriptor: CHLORIDE ION, Methyl-accepting chemotaxis protein, POTASSIUM ION, ...
Authors:Glenn, S, Baylink, A.
Deposit date:2024-01-11
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Serum is a Potent Chemoattractant for Enterobacteriaceae Species Associated with Gastrointestinal Bleeding
eLife, 2024
8VMU
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BU of 8vmu by Molmil
Homing endonuclease I-PpoI-DNA complex:reaction at pH7.0 (K+ MES) with 500 uM Mg2+ for 320s
Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ...
Authors:Chang, C, Gao, Y.
Deposit date:2024-01-13
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s
To Be Published
9FMM
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BU of 9fmm by Molmil
Structure of human ACE2 in complex with a fluorinated small molecule inhibitor
Descriptor: (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Benoit, R.B, Rodrigues, M.J, Wieser, M.M.
Deposit date:2024-06-06
Release date:2024-07-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2.
Eur J Nucl Med Mol Imaging, 2024
9GCV
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BU of 9gcv by Molmil
Identification of chloride ions in lysozyme at long wavelengths
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:El Omari, K, Forsyth, I, Orr, C.M, Wagner, A.
Deposit date:2024-08-02
Release date:2024-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Utilizing anomalous signals for element identification in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 80, 2024
8VMP
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BU of 8vmp by Molmil
Homing endonuclease I-PpoI-DNA complex:reaction at pH7.0 (K+ MES) with 500 uM Mg2+ for 10s
Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ...
Authors:Chang, C, Gao, Y.
Deposit date:2024-01-13
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s
To Be Published
8VNP
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BU of 8vnp by Molmil
Homing endonuclease I-PpoI-DNA complex at pH6.0 (K+ MES) with 0.2 M sodium malonate
Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ...
Authors:Chang, C, Gao, Y.
Deposit date:2024-01-13
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s
To Be Published
9FDK
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BU of 9fdk by Molmil
Crystal Structure of oxidized NuoEF variant R66G(NuoF) from Aquifex aeolicus
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 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 (1.8 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
5XAT
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BU of 5xat by Molmil
Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Descriptor: CITRATE ANION, Citrate-sodium symporter, SODIUM ION, ...
Authors:Jin, M.S, Kim, J.W, Kim, S, Kim, S, Lee, H, Lee, J.-O.
Deposit date:2017-03-14
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.76 Å)
Cite:Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS
Sci Rep, 7, 2017
8VU4
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BU of 8vu4 by Molmil
Structure of FabS1CE4-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S.
Deposit date:2024-01-28
Release date:2024-07-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
8VMZ
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BU of 8vmz by Molmil
Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mg2+ for 40s
Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ...
Authors:Chang, C, Gao, Y.
Deposit date:2024-01-13
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s
To Be Published
9FE7
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BU of 9fe7 by Molmil
Crystal Structure of oxidized NuoEF variant P228R(NuoF) from Aquifex aeolicus
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 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 (2.28 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
8CF7
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BU of 8cf7 by Molmil
Dimethylated RSL-R5 in complex with cucurbit[7]uril, C121 sheet assembly
Descriptor: GLYCEROL, RSL-R5, SODIUM ION, ...
Authors:Ramberg, K, Crowley, P.B.
Deposit date:2023-02-02
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Cage versus sheet: Probing the Determinants of Protein - Cucurbit[7]uril Crystalline Architectures.
J.Struct.Biol., 215, 2023
9FCQ
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BU of 9fcq by Molmil
CysG(N-16)-H122A mutant in complex with SAH from Kitasatospora cystarginea
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M.
Deposit date:2024-05-15
Release date:2024-08-21
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
2D1E
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BU of 2d1e by Molmil
Crystal structure of PcyA-biliverdin complex
Descriptor: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION
Authors:Hagiwara, Y, Sugishima, M, Takahashi, Y, Fukuyama, K.
Deposit date:2005-08-17
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha, a key enzyme in the biosynthesis of phycocyanobilin
Proc.Natl.Acad.Sci.Usa, 103, 2006
9FIH
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BU of 9fih by Molmil
Crystal Structure of NuoEF variant P228R(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, 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 (2.08 Å)
Cite:Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
8VNA
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BU of 8vna by Molmil
Homing endonuclease I-PpoI-DNA complex:reaction at pH8.0 (Tris) with 500 uM Mg2+ for 160s
Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ...
Authors:Chang, C, Gao, Y.
Deposit date:2024-01-13
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s
To Be Published
8VNK
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BU of 8vnk by Molmil
Homing endonuclease I-PpoI-DNA complex:reaction at pH6.0 (K+ MES) with 500 uM Mn2+ for 160s
Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), GLYCEROL, Intron-encoded endonuclease I-PpoI, ...
Authors:Chang, C, Gao, Y.
Deposit date:2024-01-13
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Homing endonuclease I-PpoI-DNA complex:reaction with 500 uM Mg2+ for 160s
To Be Published
8ZMN
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BU of 8zmn by Molmil
Crystal structure of ANTXR1
Descriptor: Anthrax toxin receptor 1, SODIUM ION
Authors:Zheng, H, Hu, J, Fu, L, Chen, R.
Deposit date:2024-05-23
Release date:2024-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:X-ray structure of Anthrax toxin receptor 1 APO from Rattus norvegicus
To Be Published
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
8C6G
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BU of 8c6g by Molmil
CRYSTAL STRUCTURE OF ODORANT BINDING PROTEIN 4 FROM ANOPHELES GAMBIAE (AGAMOBP4) AT PH 6.5
Descriptor: AGAP010489-PA, GLYCEROL, SODIUM ION
Authors:Tsitsanou, K.E, Drakou, C.E, Zographos, S.E.
Deposit date:2023-01-11
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Influence of pH on indole-dependent heterodimeric interactions between Anopheles gambiae odorant-binding proteins OBP1 and OBP4.
To Be Published
7BU6
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BU of 7bu6 by Molmil
Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-04
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
8XF7
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BU of 8xf7 by Molmil
High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes with ferrioxamine E bound
Descriptor: (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, 1,2-ETHANEDIOL, FE (III) ION, ...
Authors:Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
Deposit date:2023-12-13
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Conserved binding mechanism for ligand promiscuity in the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes
Structure

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