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4AT9
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BU of 4at9 by Molmil
Crystal structure of the NF90-NF45 dimerisation domain complex with UTP
Descriptor: INTERLEUKIN ENHANCER-BINDING FACTOR 2, INTERLEUKIN ENHANCER-BINDING FACTOR 3, MAGNESIUM ION, ...
Authors:Wolkowicz, U.M, Cook, A.G.
Deposit date:2012-05-05
Release date:2012-08-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:NF45 Dimerizes with NF90, Zfr and Spnr Via a Conserved Domain that Has a Nucleotidyltransferase Fold.
Nucleic Acids Res., 40, 2012
4AYM
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BU of 4aym by Molmil
Structure of a complex between CCPs 6 and 7 of Human Complement Factor H and Neisseria meningitidis FHbp Variant 3 P106A mutant
Descriptor: COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN
Authors:Johnson, S, Tan, L, van der Veen, S, Caesar, J, Goicoechea De Jorge, E, Everett, R.J, Bai, X, Exley, R.M, Ward, P.N, Ruivo, N, Trivedi, K, Cumber, E, Jones, R, Newham, L, Staunton, D, Borrow, R, Pickering, M, Lea, S.M, Tang, C.M.
Deposit date:2012-06-21
Release date:2012-11-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules.
Plos Pathog., 8, 2012
4BHI
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BU of 4bhi by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate
Descriptor: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2013-04-03
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
8RKE
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BU of 8rke by Molmil
Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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:Fahrenkamp, D, de Sanctis, D, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
4AVZ
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BU of 4avz by Molmil
Tailspike protein mutant E372Q of E. coli bacteriophage HK620
Descriptor: TAIL SPIKE PROTEIN, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
Authors:Gohlke, U, Broeker, N.K, Mueller, J.J, Uetrecht, C, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2012-05-30
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Single Amino Acid Exchange in Bacteriophage Hk620 Tailspike Protein Results in Thousand-Fold Increase of its Oligosaccharide Affinity.
Glycobiology, 23, 2013
8S3E
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BU of 8s3e by Molmil
Structure of rabbit Slo1 in complex with gamma1/LRRC26
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ...
Authors:Redhardt, M, Raunser, S, Raisch, T.
Deposit date:2024-02-20
Release date:2024-04-10
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Cryo-EM structure of the Slo1 potassium channel with the auxiliary gamma 1 subunit suggests a mechanism for depolarization-independent activation.
Febs Lett., 598, 2024
4B5R
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BU of 4b5r by Molmil
SAM-I riboswitch bearing the H. marismortui K-t-7
Descriptor: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Daldrop, P, Lilley, D.M.J.
Deposit date:2012-08-07
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The Plasticity of a Structural Motif in RNA: Structural Polymorphism of a Kink Turn as a Function of its Environment.
RNA, 19, 2013
8SEI
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BU of 8sei by Molmil
SF Tau from Down Syndrome
Descriptor: Microtubule-associated protein tau
Authors:Hoq, M.R, Bharath, S.R, Jiang, W, Vago, F.S, Bharath, S.R.
Deposit date:2023-04-10
Release date:2024-04-03
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of amyloid-beta and tau filaments in Down syndrome.
Nat.Struct.Mol.Biol., 31, 2024
4B76
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BU of 4b76 by Molmil
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
Descriptor: NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
Authors:Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H.
Deposit date:2012-08-16
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
4B1B
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BU of 4b1b by Molmil
Crystal structure of Plasmodium falciparum oxidised Thioredoxin Reductase at 2.9 angstrom
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE
Authors:Boumis, G, Giardina, G, Dimastrogiovanni, D, Angelucci, F, Saccoccia, F, Brunori, M, Bellelli, A, Miele, A.E.
Deposit date:2012-07-09
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Plasmodium Falciparum Thioredoxin Reductase, a Validated Drug Target.
Biochem.Biophys.Res.Commun., 425, 2012
8S03
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BU of 8s03 by Molmil
NMR solution structure of the CysD2 domain of MUC2
Descriptor: CALCIUM ION, Mucin-2
Authors:Recktenwald, C, Karlsson, B.G, Garcia-Bonnete, M.-J, Katona, G, Jensen, M, Lymer, R, Baeckstroem, M, Johansson, M.E.V, Hansson, G.C, Trillo-Muyo, S.
Deposit date:2024-02-13
Release date:2024-04-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of the second CysD domain of MUC2 and role in mucin organization by transglutaminase-based cross-linking.
Cell Rep, 43, 2024
4BDI
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BU of 4bdi by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
Descriptor: 1,2-ETHANEDIOL, 1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide, CHLORIDE ION, ...
Authors:Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4B7C
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BU of 4b7c by Molmil
Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE
Authors:Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H.
Deposit date:2012-08-17
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
4B8N
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BU of 4b8n by Molmil
Cytochrome b5 of Ostreococcus tauri virus 2
Descriptor: CYTOCHROME B5-HOST ORIGIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Isupov, M, Reid, E.L, Weynberg, K.D, Love, J, Wilson, W.H, Kelly, S.L, Lamb, D.C, Allen, M.J, Littlechild, J.A.
Deposit date:2012-08-28
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Functional and Structural Characterisation of a Viral Cytochrome B5.
FEBS Lett., 587, 2013
4BAT
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BU of 4bat by Molmil
Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa.
Descriptor: CHLORIDE ION, GLYCEROL, PROBABLE EPOXIDE HYDROLASE, ...
Authors:Schmidberger, J.W, Schnell, R, Schneider, G.
Deposit date:2012-09-16
Release date:2013-10-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a Putative Epoxide Hydrolase T131D Mutant from Pseudomonas Aeruginosa.
To be Published
4BDC
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BU of 4bdc by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-(furan-2-ylmethyl)quinoxaline-6-carboxamide, ...
Authors:Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M.
Deposit date:2012-10-05
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
8SEH
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BU of 8seh by Molmil
PHF Tau from Down Syndrome
Descriptor: Microtubule-associated protein tau
Authors:Hoq, M.R, Bharath, S.R, Jiang, W, Vago, F.S.
Deposit date:2023-04-10
Release date:2024-04-03
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of amyloid-beta and tau filaments in Down syndrome.
Nat.Struct.Mol.Biol., 31, 2024
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
4AV7
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BU of 4av7 by Molmil
Structure determination of the double mutant S233Y F250G from the sec- alkyl sulfatase PisA1
Descriptor: SEC-ALKYLSULFATASE, SULFATE ION, ZINC ION
Authors:Knaus, T, Schober, M, Faber, K, Macharaux, P, Wagner, U.
Deposit date:2012-05-24
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
FEBS J., 279, 2012
8S5J
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BU of 8s5j by Molmil
Full-length human cystathionine beta-synthase, basal state, helical reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
4AY0
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BU of 4ay0 by Molmil
High resolution crystal structure of the monomeric subunit-free Caf1M chaperone
Descriptor: CHAPERONE PROTEIN CAF1M
Authors:Yu, X.D, Dubnovitsky, A, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V.
Deposit date:2012-06-16
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway.
Structure, 20, 2012
4AZY
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BU of 4azy by Molmil
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
Descriptor: (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ...
Authors:Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
8RQB
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BU of 8rqb by Molmil
Cryo-EM structure of mouse heavy-chain apoferritin
Descriptor: FE (III) ION, Ferritin heavy chain, N-terminally processed, ...
Authors:Nazarov, S, Myasnikov, A, Stahlberg, H.
Deposit date:2024-01-17
Release date:2024-03-13
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (1.09 Å)
Cite:Low-dose cryo-electron ptychography of proteins at sub-nanometer resolution.
Nat Commun, 15, 2024
8RZV
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BU of 8rzv by Molmil
Structure of UP1 S4ES6E phosphomimetic mutant in complex with human telomeric repeat DNA
Descriptor: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-02-13
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of UP1 S4ES6E phosphomimetic mutant in complex with human telomeric repeat DNA
To Be Published
8S5K
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BU of 8s5k by Molmil
Full-length human cystathionine beta-synthase, basal state, single particle reconstruction
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCorvie, T.J, Yue, W.W.
Deposit date:2024-02-23
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024

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