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PDB: 22271 results

5LPK
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Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
1W60
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BU of 1w60 by Molmil
NATIVE HUMAN PCNA
Descriptor: PROLIFERATING CELL NUCLEAR ANTIGEN
Authors:Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.
Deposit date:2004-08-11
Release date:2005-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
5LVX
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Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator
Descriptor: 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
4UOT
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BU of 4uot by Molmil
Thermodynamic hyperstability in parametrically designed helical bundles
Descriptor: DESIGNED HELICAL BUNDLE 5H2L
Authors:Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D.
Deposit date:2014-06-09
Release date:2014-11-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:High Thermodynamic Stability of Parametrically Designed Helical Bundles
Science, 346, 2014
6I82
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BU of 6i82 by Molmil
Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M.
Deposit date:2018-11-19
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Acs Med.Chem.Lett., 11, 2020
6IAC
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BU of 6iac by Molmil
Portal and tail of native bacteriophage P68
Descriptor: Lower collar protein, Minor structural protein, Portal protein, ...
Authors:Hrebik, D, Skubnik, K, Fuzik, T, Plevka, P.
Deposit date:2018-11-26
Release date:2019-11-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure and genome ejection mechanism ofStaphylococcus aureusphage P68.
Sci Adv, 5, 2019
6IAW
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BU of 6iaw by Molmil
Structure of head fiber and inner core protein gp22 of native bacteriophage P68
Descriptor: Arstotzka protein, Head fiber, Major head protein, ...
Authors:Hrebik, D, Skubnik, K, Fuzik, T, Plevka, P.
Deposit date:2018-11-27
Release date:2019-11-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and genome ejection mechanism ofStaphylococcus aureusphage P68.
Sci Adv, 5, 2019
7ABK
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BU of 7abk by Molmil
Helical structure of PspA
Descriptor: Chloroplast membrane-associated 30 kD protein
Authors:Junglas, B, Huber, S.T, Mann, D, Heidler, T, Clarke, M, Schneider, D, Sachse, C.
Deposit date:2020-09-07
Release date:2021-08-04
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:PspA adopts an ESCRT-III-like fold and remodels bacterial membranes.
Cell, 184, 2021
1URF
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BU of 1urf by Molmil
HR1b domain from PRK1
Descriptor: PROTEIN KINASE C-LIKE 1
Authors:Owen, D, Lowe, P.N, Nietlispach, D, Brosnan, C.E, Chirgadze, D.Y, Parker, P.J, Blundell, T.L, Mott, H.R.
Deposit date:2003-10-29
Release date:2003-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Dissection of the Interaction between the Small G Proteins Rac1 and Rhoa and Protein Kinase C-Related Kinase 1 (Prk1)
J.Biol.Chem., 278, 2003
1UQV
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BU of 1uqv by Molmil
SAM domain from Ste50p
Descriptor: STE50 PROTEIN
Authors:Grimshaw, S.J, Mott, H.R, Stott, K.M, Nielsen, P.R, Evetts, K.A, Hopkins, L.J, Nietlispach, D, Owen, D.
Deposit date:2003-10-20
Release date:2003-10-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the Sterile {Alpha} Motif (Sam) Domain of the Saccharomyces Cerevisiae Mitogen-Activated Protein Kinase Pathway-Modulating Protein Ste50 and Analysis of its Interaction with the Ste11 Sam
J.Biol.Chem., 279, 2004
1YBX
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BU of 1ybx by Molmil
Conserved hypothetical protein Cth-383 from Clostridium thermocellum
Descriptor: Conserved hypothetical protein, UNKNOWN ATOM OR ION
Authors:Tempel, W, Chang, J, Zhao, M, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-21
Release date:2005-02-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conserved hypothetical protein Cth-383 from Clostridium thermocellum
To be published
1Y6J
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BU of 1y6j by Molmil
L-Lactate Dehydrogenase from Clostridium Thermocellum Cth-1135
Descriptor: L-lactate dehydrogenase
Authors:Chen, L, Yang, H, Kataeva, I, Chen, L.R, Tempel, W, Lee, D, Habel, J, Zhou, W, Lin, D, Ljungdahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-06
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:L-Lactate Dehydrogenase from Clostridium Thermocellum Cth-1135
To be Published
1Y80
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BU of 1y80 by Molmil
Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica
Descriptor: CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE, Predicted cobalamin binding protein, UNKNOWN ATOM OR ION
Authors:Liu, Z.-J, Fu, Z.-Q, Tempel, W, Das, A, Habel, J, Zhou, W, Chang, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Ljungdahl, L, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-10
Release date:2005-01-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica
To be published
1K55
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BU of 1k55 by Molmil
OXA 10 class D beta-lactamase at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Beta lactamase OXA-10, SULFATE ION
Authors:Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
Deposit date:2001-10-10
Release date:2001-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
5LPL
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BU of 5lpl by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
Descriptor: CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Wohlwend, D, Huegle, M.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
6Y1A
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BU of 6y1a by Molmil
Amyloid fibril structure of islet amyloid polypeptide
Descriptor: AMINO GROUP, Islet amyloid polypeptide
Authors:Roeder, C, Kupreichyk, T, Gremer, L, Schaefer, L.U, Pothula, K.R, Ravelli, R.B.G, Willbold, D, Hoyer, W, Schroder, G.F.
Deposit date:2020-02-11
Release date:2020-03-04
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of islet amyloid polypeptide fibrils reveals similarities with amyloid-beta fibrils.
Nat.Struct.Mol.Biol., 27, 2020
7AA5
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BU of 7aa5 by Molmil
Human TRPV4 structure in presence of 4a-PDD
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein
Authors:Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J.
Deposit date:2020-09-03
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation
To Be Published
1YJ5
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BU of 1yj5 by Molmil
Molecular architecture of mammalian polynucleotide kinase, a DNA repair enzyme
Descriptor: 5' polynucleotide kinase-3' phosphatase FHA domain, 5' polynucleotide kinase-3' phosphatase catalytic domain, SULFATE ION
Authors:Bernstein, N.K, Williams, R.S, Rakovszky, M.L, Cui, D, Green, R, Karimi-Busheri, F, Mani, R.S, Galicia, S, Koch, C.A, Cass, C.E, Durocher, D, Weinfeld, M, Glover, J.N.M.
Deposit date:2005-01-13
Release date:2005-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The molecular architecture of the mammalian DNA repair enzyme, polynucleotide kinase.
Mol.Cell, 17, 2005
6J2J
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BU of 6j2j by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with MERS-CoV-derived peptide MERS-CoV-S3
Descriptor: Beta-2-microglobulin, MERS-CoV-S3, Ptal-N*01:01
Authors:Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
Deposit date:2019-01-01
Release date:2019-09-18
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
1YJM
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BU of 1yjm by Molmil
Crystal structure of the FHA domain of mouse polynucleotide kinase in complex with an XRCC4-derived phosphopeptide.
Descriptor: 12-mer peptide from DNA-repair protein XRCC4, Polynucleotide 5'-hydroxyl-kinase
Authors:Bernstein, N.K, Williams, R.S, Rakovszky, M.L, Cui, D, Green, R, Karimi-Busheri, F, Mani, R.S, Galicia, S, Koch, C.A, Cass, C.E, Durocher, D, Weinfeld, M, Glover, J.N.M.
Deposit date:2005-01-14
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The molecular architecture of the mammalian DNA repair enzyme, polynucleotide kinase.
Mol.Cell, 17, 2005
6YHS
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BU of 6yhs by Molmil
Acinetobacter baumannii ribosome-amikacin complex - 50S subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-03-30
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
5J37
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BU of 5j37 by Molmil
Crystal structure of 60-mer BFDV Capsid Protein in complex with single stranded DNA
Descriptor: Beak and feather disease virus capsid protein, PHOSPHATE ION, single stranded DNA
Authors:Sarker, S, Raidal, S, Aragao, D, Forwood, J.K.
Deposit date:2016-03-30
Release date:2016-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
7UHC
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BU of 7uhc by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-03-26
Release date:2022-06-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
8BN6
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BU of 8bn6 by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B
Authors:Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
Deposit date:2022-11-12
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
5K7V
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BU of 5k7v by Molmil
Computational Design of Self-Assembling Cyclic Protein Homooligomers
Descriptor: Designed protein HR00C3
Authors:Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D.
Deposit date:2016-05-26
Release date:2017-04-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.165 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017

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