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PDB: 52230 results

8U12
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BU of 8u12 by Molmil
Crystal Structure of Antitoxin Protein Rv0298 of Type II Toxin-antitoxin Systems from Mycobacterium tuberculosis
Descriptor: Antitoxin Rv0298, SULFATE ION
Authors:Kim, Y, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-08-30
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Antitoxin Protein Rv0298 of Type II Toxin-antitoxin Systems from Mycobacterium tuberculosis
To Be Published
4RZ0
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BU of 4rz0 by Molmil
Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
Descriptor: PFL0690c, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2014-12-17
Release date:2015-01-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
To be Published
8TKN
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BU of 8tkn by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter
Descriptor: DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
4S1K
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BU of 4s1k by Molmil
Structure of Uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Ginn, H.M, Messerschmidt, M, Ji, X, Zhang, H, Axford, D, Gildea, R.J, Winter, G, Brewster, A.S, Hattne, J, Wagner, A, Grimes, J.M, Evans, G, Sauter, N.K, Sutton, G, Stuart, D.I.
Deposit date:2015-01-14
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data.
Nat Commun, 6, 2015
8TKL
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BU of 8tkl by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with a Test 16-mer kappaB-like DNA
Descriptor: Nuclear factor NF-kappa-B p50 subunit, Test 17-mer kappaB-like DNA
Authors:Mitchel, S, Mealka, M, Rogers, W.E, Milani, C, Acuna, L.M, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
8TKM
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BU of 8tkm by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter
Descriptor: 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit
Authors:Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
Deposit date:2023-07-25
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
4RTI
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BU of 4rti by Molmil
The crystal structure of PsbP from Spinacia oleracea
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ...
Authors:Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W.
Deposit date:2014-11-15
Release date:2015-03-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
4S3E
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BU of 4s3e by Molmil
IspG in complex with Inhibitor 7 (compound 1061)
Descriptor: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4RU9
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BU of 4ru9 by Molmil
Crystal structure of human DNA polymerase eta inserting dCMPNPP opposite a MeFapy-dG adducted DNA template
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase eta, MAGNESIUM ION, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV.
J.Am.Chem.Soc., 137, 2015
7UTF
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BU of 7utf by Molmil
Structure-Function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol
Descriptor: CITRATE ANION, Putative oxidoreductase, aryl-alcohol dehydrogenase like protein, ...
Authors:Abraham, N, Schroeter, K.L, Kimber, M.S, Seah, S.Y.K.
Deposit date:2022-04-26
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol.
Sci Rep, 12, 2022
4TNF
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BU of 4tnf by Molmil
Crystal Structure of Human Transthyretin Lys15Trp Mutant
Descriptor: Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-06-03
Release date:2015-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Human Transthyretin Lys15Trp Mutant
to be published
5M4G
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BU of 5m4g by Molmil
Crystal Structure of Wild-Type Human Prolidase with Mn ions
Descriptor: GLYCEROL, HYDROXIDE ION, MANGANESE (II) ION, ...
Authors:Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H.
Deposit date:2016-10-18
Release date:2017-07-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
4TOE
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BU of 4toe by Molmil
2.20A resolution structure of Iron Bound BfrB (D34F) from Pseudomonas aeruginosa
Descriptor: Bacterioferritin, FE (II) ION, POTASSIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M.
Deposit date:2014-06-05
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
5LVA
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BU of 5lva by Molmil
Crystal structure of thermophilic tryptophan halogenase (Th-Hal) enzyme from Streptomycin violaceusniger.
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H-FMN oxidoreductase
Authors:Dunstan, M.S, Menon, B.
Deposit date:2016-09-13
Release date:2016-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes.
Org.Biomol.Chem., 14, 2016
8U26
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BU of 8u26 by Molmil
Gaussian Mixture Models based single particle refinement - GPCR (Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 from EMPIAR-10786)
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Chen, M, Pintilie, G.
Deposit date:2023-09-05
Release date:2023-11-15
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Improving resolution and resolvability of single-particle cryoEM structures using Gaussian mixture models.
Nat.Methods, 21, 2024
4S1D
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BU of 4s1d by Molmil
Structure of IgG1 Fab fragment in complex with Biotincytidinamide
Descriptor: MAB M33 FAB FRAGMENT, heavy chain, light chain, ...
Authors:Dengl, S, Hoffmann, E, Grote, M, Wagner, C, Mundigl, O, Georges, G, Theorey, I, Stubenrauch, K.-G, Bujotzek, A, Josel, H.-P, Dziadek, S, Benz, J, Brinkmann, U.
Deposit date:2015-01-13
Release date:2015-03-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hapten-directed spontaneous disulfide shuffling: a universal technology for site-directed covalent coupling of payloads to antibodies.
Faseb J., 29, 2015
4RQW
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BU of 4rqw by Molmil
Crystal structure of Myc3 N-terminal JAZ-binding domain [44-238] from Arabidopsis
Descriptor: CALCIUM ION, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J, Zhou, M, Xu, H.E, Melcher, K, He, S.Y.
Deposit date:2014-11-05
Release date:2015-08-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
4RU0
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BU of 4ru0 by Molmil
The crystal structure of abc transporter permease from pseudomonas fluorescens group
Descriptor: 3,6,9,12,15-PENTAOXAHEPTADECANE, GLYCEROL, Putative branched-chain amino acid ABC transporter, ...
Authors:Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-11-17
Release date:2014-11-26
Method:X-RAY DIFFRACTION (2.442 Å)
Cite:The crystal structure of abc transporter permease from pseudomonas fluorescens group
To be Published
8TU6
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BU of 8tu6 by Molmil
CryoEM structure of PI3Kalpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Valverde, R, Shi, H, Holliday, M.
Deposit date:2023-08-15
Release date:2023-11-15
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8U28
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BU of 8u28 by Molmil
Gaussian mixture model based single particle refinement - SARS (SARS-CoV-2 Spike Proteins on intact virions from EMPIAR-10492)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Chen, M, Pintilie, G.
Deposit date:2023-09-05
Release date:2023-11-15
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Improving resolution and resolvability of single-particle cryoEM structures using Gaussian mixture models.
Nat.Methods, 21, 2024
5M4Q
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BU of 5m4q by Molmil
Crystal Structure of Wild-Type Human Prolidase with Mn ions and Pro ligand
Descriptor: GLYCEROL, HYDROXIDE ION, MANGANESE (II) ION, ...
Authors:Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H.
Deposit date:2016-10-18
Release date:2017-07-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
4S3B
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BU of 4s3b by Molmil
IspG in complex with Intermediate II
Descriptor: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
8TSA
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BU of 8tsa by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 2
Descriptor: 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TS8
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BU of 8ts8 by Molmil
p85alpha/p110alpha heterodimer H1047R mutant
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
8TSD
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BU of 8tsd by Molmil
Human PI3K p85alpha/p110alpha bound to RLY-2608
Descriptor: N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024

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PDB entries from 2024-11-06

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