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PDB: 45855 results

6XQ9
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BU of 6xq9 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13
Descriptor: 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
8T5F
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BU of 8t5f by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: Parathyroid hormone
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
6XQ1
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BU of 6xq1 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-((4-(4-carboxyphenoxy)benzyl)oxy)phenyl)-1H-indole-2-carboxylic acid
Descriptor: 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
Authors:Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
Deposit date:2020-07-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
8T5E
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BU of 8t5e by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: Bcl-2-like protein 11, Bim_fulldiff
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
4UMF
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BU of 4umf by Molmil
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion, Phosphate ion and KDO molecule
Descriptor: 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ...
Authors:Dhindwal, S, Tomar, S, Kumar, P.
Deposit date:2014-05-16
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
8FK6
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BU of 8fk6 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL7
Descriptor: C-C motif chemokine 7, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2022-12-20
Release date:2023-03-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
5LRV
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BU of 5lrv by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ...
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
1AW7
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BU of 1aw7 by Molmil
Q136A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS
Descriptor: TOXIC SHOCK SYNDROME TOXIN-1
Authors:Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1997-10-11
Release date:1998-10-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity.
Biochemistry, 37, 1998
1BIQ
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BU of 1biq by Molmil
RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN MUTANT E238A
Descriptor: FE (II) ION, FE (III) ION, HYDROXIDE ION, ...
Authors:Logan, D.T, Demare, F, Persson, B.O, Slaby, A, Sjoberg, B.M, Nordlund, P.
Deposit date:1998-06-18
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of two self-hydroxylating ribonucleotide reductase protein R2 mutants: structural basis for the oxygen-insertion step of hydroxylation reactions catalyzed by diiron proteins.
Biochemistry, 37, 1998
6VUC
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BU of 6vuc by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7b (1-methyl-4-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one)
Descriptor: (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-14
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
1AP0
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BU of 1ap0 by Molmil
STRUCTURE OF THE CHROMATIN BINDING (CHROMO) DOMAIN FROM MOUSE MODIFIER PROTEIN 1, NMR, 26 STRUCTURES
Descriptor: MODIFIER PROTEIN 1
Authors:Ball, L.J, Murzina, N.V, Broadhurst, R.W, Raine, A.R.C, Archer, S.J, Stott, F.J, Murzin, A.G, Singh, P.B, Domaille, P.J, Laue, E.D.
Deposit date:1997-07-22
Release date:1998-07-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the chromatin binding (chromo) domain from mouse modifier protein 1.
EMBO J., 16, 1997
6VY2
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BU of 6vy2 by Molmil
Cryo-EM structure of M1214_N1 Fab in complex with CH505 TF chimeric SOSIP.664 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ...
Authors:Chan, K.-W, Kong, X.P.
Deposit date:2020-02-25
Release date:2020-05-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.86 Å)
Cite:VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA.
Cell Host Microbe, 27, 2020
1AT4
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BU of 1at4 by Molmil
INTRAMOLECULAR DNA TRIPLEX CONTAINING A NON-NUCLEOTIDE LINKER (GAGAGA-X-TCTCCT-X-CTCTCT), NMR, 7 STRUCTURES
Descriptor: DNA (5'-D(*GP*AP*GP*AP*GP*AP*DOP*TP*CP*TP*CP*TP*CP*DOP*CP*TP*CP*TP*CP*T)-3')
Authors:Bartley, J.P.
Deposit date:1997-08-18
Release date:1998-02-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution conformation of an intramolecular DNA triplex containing a nonnucleotide linker: comparison with the DNA duplex.
Biochemistry, 36, 1997
1BGZ
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BU of 1bgz by Molmil
S8 RRNA BINDING SITE FROM E. COLI, NMR, 6 STRUCTURES
Descriptor: RNA
Authors:Kalurachchi, K, Nikonowicz, E.P.
Deposit date:1998-06-03
Release date:1999-01-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure determination of the binding site for ribosomal protein S8 from Escherichia coli 16 S rRNA.
J.Mol.Biol., 280, 1998
6XUW
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BU of 6xuw by Molmil
Human myelin protein P2 mutant L27D
Descriptor: CHLORIDE ION, Myelin P2 protein, PALMITIC ACID
Authors:Ruskamo, S, Lehtimaki, M, Kursula, P.
Deposit date:2020-01-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
5IVS
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BU of 5ivs by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-[2-[2-[(2R,5S)-5-(benzylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate
Descriptor: CHLORIDE ION, N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
6XVQ
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BU of 6xvq by Molmil
Human myelin protein P2 mutant K31Q
Descriptor: CITRIC ACID, Myelin P2 protein, PALMITIC ACID
Authors:Ruskamo, S, Lehtimaki, M, Kursula, P.
Deposit date:2020-01-22
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6XWG
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BU of 6xwg by Molmil
Crystal Structure of the Human RXR/RAR DNA-Binding Domain Heterodimer Bound to the Human RARb2 DR5 Response Element
Descriptor: CHLORIDE ION, GLYCEROL, RARb2 DR5 Response Element, ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Peluso-Iltis, C, Rochel, N.
Deposit date:2020-01-23
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for DNA recognition and allosteric control of the retinoic acid receptors RAR-RXR.
Nucleic Acids Res., 48, 2020
7R27
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BU of 7r27 by Molmil
Crystal structure of the L. plantarum D-alanine ligase DltA
Descriptor: ADENOSINE MONOPHOSPHATE, D-ALANINE, D-alanine--D-alanyl carrier protein ligase
Authors:Nikolopoulos, N, Ravaud, S, Simorre, J.P, Grangeasse, C.
Deposit date:2022-02-04
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
Sci Rep, 12, 2022
7UN2
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BU of 7un2 by Molmil
Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with Indole-3-butyric acid
Descriptor: 3-INDOLEBUTYRIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:de Sousa, J.P, Bezerra, E.H.S, Sales, M.V, Queiroz, P.P, da Silva, F.M.S, Carvalho, C.P.S, Freire, V.N, Rocha, B.A.M.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of Canavalia maritima lectin complexed with auxins
To Be Published
6XRT
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BU of 6xrt by Molmil
Cryo-EM structure of SHIV-elicited RHA1.V2.01 in complex with HIV-1 Env BG505 DS-SOSIP.664
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-07-13
Release date:2020-10-07
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
7R49
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BU of 7r49 by Molmil
Crystal structure of the L. plantarum acyl carrier protein synthase (AcpS)in complex with D-alanyl carrier protein (DltC1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4'-PHOSPHOPANTETHEINE, D-alanyl carrier protein 1, ...
Authors:Nikolopoulos, N, Ravaud, S, Simorre, J.P, Grangeasse, C.
Deposit date:2022-02-08
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
Sci Rep, 12, 2022
5LFX
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BU of 5lfx by Molmil
Lambda-[Ru(phen)2(dppz-11,12-Me)]2+ bound to a short substituted DNA sequence
Descriptor: BARIUM ION, DNA (5'-D(*(CBR)P*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*G)-3'), ...
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2016-07-04
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Guanine Can Direct Binding Specificity of Ru-dipyridophenazine (dppz) Complexes to DNA through Steric Effects.
Chemistry, 23, 2017
4UM5
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BU of 4um5 by Molmil
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and Phosphate ion
Descriptor: 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, ...
Authors:Dhindwal, S, Tomar, S, Kumar, P.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
7RT7
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BU of 7rt7 by Molmil
Crystal structure of the RhsP2 C-terminal toxin domain in complex with its immunity protein, RhsI2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhsI2, RhsP2
Authors:Bullen, N.P, Prehna, G, Whitney, J.C.
Deposit date:2021-08-12
Release date:2022-08-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:An ADP-ribosyltransferase toxin kills bacterial cells by modifying structured non-coding RNAs.
Mol.Cell, 82, 2022

223532

PDB entries from 2024-08-07

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