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5VVV
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BU of 5vvv by Molmil
Structural Investigations of the Substrate Specificity of Human O-GlcNAcase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-GlcNAcase, a-crystallin B
Authors:Li, B, Jiang, J, Li, H, Hu, C.-W.
Deposit date:2017-05-20
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase.
Nat Commun, 8, 2017
7XVM
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BU of 7xvm by Molmil
Crystal Structure of Nucleosome-H5 Linker Histone Assembly (sticky-169a DNA fragment)
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (169-MER), ...
Authors:Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A.
Deposit date:2022-05-24
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment)
To Be Published
7JGW
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BU of 7jgw by Molmil
Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1
Descriptor: 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1
Authors:Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F.
Deposit date:2020-07-19
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
7XX5
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BU of 7xx5 by Molmil
Crystal Structure of Nucleosome-H1.3 Linker Histone Assembly (sticky-169a DNA fragment)
Descriptor: CALCIUM ION, DNA (169-MER), Histone H1.3, ...
Authors:Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A.
Deposit date:2022-05-28
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment)
To Be Published
3CHB
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BU of 3chb by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLERA TOXIN, UNKNOWN ATOM OR ION, ...
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1998-03-24
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site.
J.Mol.Biol., 282, 1998
1JLF
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BU of 1jlf by Molmil
CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT A-chain, HIV-1 RT B-chain
Authors:Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
4ORO
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BU of 4oro by Molmil
Structure of Influenza B PB2 cap-binding domain complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Polymerase PB2
Authors:Liu, Y, Zheng, X.
Deposit date:2014-02-11
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Influenza B PB2 cap-binding domain complex with GDP
to be published
1VJ4
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BU of 1vj4 by Molmil
SEQUENCE-DEPENDENT CONFORMATION OF AN A-DNA DOUBLE HELIX: THE CRYSTAL STRUCTURE OF THE OCTAMER D(G-G-T-A-T-A-C-C)
Descriptor: 5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3'
Authors:Shakked, Z, Rabinovich, D, Kennard, O, Cruse, W.B, Salisbury, S.A, Viswamitra, M.A.
Deposit date:1989-01-11
Release date:1989-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sequence-dependent conformation of an A-DNA double helix: The crystal structure of the octamer d(G-G-T-A-T-A-C-C)
J.Mol.Biol., 166, 1983
1IH1
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BU of 1ih1 by Molmil
Crystal Structure of the B-DNA Hexamer GGCGCC with Cobalt Hexamine Resolved to 2.0 Angstroms
Descriptor: 5'-D(*GP*GP*CP*GP*CP*C)-3', COBALT HEXAMMINE(III), MAGNESIUM ION
Authors:Vargason, J.M, Henderson, K, Ho, P.S.
Deposit date:2001-04-18
Release date:2001-06-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A crystallographic map of the transition from B-DNA to A-DNA.
Proc.Natl.Acad.Sci.USA, 98, 2001
5DNB
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BU of 5dnb by Molmil
STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-G-T-T-G-G AND COMPARISON WITH ISOMORPHOUS DECAMERS C-C-A-A-G-A-T-T-G-G AND C-C-A-G-G-C-C-T-G-G
Descriptor: DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Prive, G.G, Yanagi, K, Dickerson, R.E.
Deposit date:1990-03-22
Release date:1991-10-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G.
J.Mol.Biol., 217, 1991
4OWF
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BU of 4owf by Molmil
Crystal structure of the NEMO CoZi in complex with HOIP NZF1 domain
Descriptor: E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, ZINC ION
Authors:Rahighi, S, Fujita, H, Kawasaki, M, Kato, R, Iwai, K, Wakatsuki, S.
Deposit date:2014-01-31
Release date:2014-02-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism Underlying I kappa B Kinase Activation Mediated by the Linear Ubiquitin Chain Assembly Complex.
Mol.Cell.Biol., 34, 2014
6HX7
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BU of 6hx7 by Molmil
Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom
Descriptor: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
Authors:Giardina, G, Montioli, R, Cellini, B, Cutruzzola, F, Borri Voltattorni, C.
Deposit date:2018-10-16
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:R180T variant of delta-ornithine aminotransferase associated with gyrate atrophy: biochemical, computational, X-ray and NMR studies provide insight into its catalytic features.
Febs J., 286, 2019
2Z62
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BU of 2z62 by Molmil
Crystal structure of the TV3 hybrid of human TLR4 and hagfish VLRB.61
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 4, ...
Authors:Lee, J.-O, Kim, H.M, Park, B.S.
Deposit date:2007-07-22
Release date:2007-09-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
3MPP
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BU of 3mpp by Molmil
Botulinum Neurotoxin Type G Receptor Binding Domain
Descriptor: Botulinum neurotoxin type G
Authors:Schmitt, J.M, Lacy, D.B.
Deposit date:2010-04-27
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural analysis of botulinum neurotoxin type G receptor binding .
Biochemistry, 49, 2010
1SJA
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BU of 1sja by Molmil
X-ray structure of o-Succinylbenzoate Synthase complexed with N-acetylmethionine
Descriptor: MAGNESIUM ION, N-ACETYLMETHIONINE, N-acylamino acid racemase
Authors:Thoden, J.B, Taylor-Ringia, E.A, Garrett, J.B, Gerlt, J.A, Holden, H.M, Rayment, I.
Deposit date:2004-03-03
Release date:2004-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis
Biochemistry, 43, 2004
4K6L
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BU of 4k6l by Molmil
Structure of Typhoid Toxin
Descriptor: Cytolethal distending toxin subunit B homolog, GLYCEROL, Putative pertussis-like toxin subunit
Authors:Gao, X, Song, J, Galan, J.
Deposit date:2013-04-16
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structure and function of the Salmonella Typhi chimaeric A(2)B(5) typhoid toxin.
Nature, 499, 2013
3N56
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BU of 3n56 by Molmil
Crystal Structure of human Insulin-degrading enzyme (IDE) in complex with human B-type natriuretic peptide (BNP)
Descriptor: 1,4-DIETHYLENE DIOXIDE, Insulin-degrading enzyme, Natriuretic peptides B, ...
Authors:Funke, T, Guo, Q, Tang, W.-J.
Deposit date:2010-05-24
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Crystal Structure of human Insulin-degrading enzyme (IDE) in complex with human B-type natriuretic peptide (BNP)
To be Published
104D
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BU of 104d by Molmil
DNA DUPLEXES FLANKED BY HYBRID DUPLEXES: THE SOLUTION STRUCTURE OF CHIMERIC JUNCTIONS IN
Descriptor: DNA/RNA (5'-R(*CP*GP*CP*G)-D(P*TP*AP*TP*AP*CP*GP*CP*G)-3')
Authors:Zhu, L, Salazar, M, Reid, B.R.
Deposit date:1994-12-16
Release date:1995-03-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:DNA duplexes flanked by hybrid duplexes: the solution structure of chimeric junctions in [r(cgcg)d(TATACGCG)]2.
Biochemistry, 34, 1995
1INF
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BU of 1inf by Molmil
INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE COMPLEXED WITH BANA113 INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1995-07-07
Release date:1996-08-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.
J.Med.Chem., 38, 1995
1SJD
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BU of 1sjd by Molmil
x-ray structure of o-succinylbenzoate synthase complexed with n-succinyl phenylglycine
Descriptor: N-SUCCINYL PHENYLGLYCINE, N-acylamino acid racemase
Authors:Thoden, J.B, Taylor-Ringia, E.A, Garrett, J.B, Gerlt, J.A, Holden, H.M, Rayment, I.
Deposit date:2004-03-03
Release date:2004-06-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis
Biochemistry, 43, 2004
1SJB
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BU of 1sjb by Molmil
X-ray structure of o-succinylbenzoate synthase complexed with o-succinylbenzoic acid
Descriptor: 2-SUCCINYLBENZOATE, MAGNESIUM ION, N-acylamino acid racemase
Authors:Thoden, J.B, Taylor-Ringia, E.A, Garrett, J.B, Gerlt, J.A, Holden, H.M, Rayment, I.
Deposit date:2004-03-03
Release date:2004-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis
Biochemistry, 43, 2004
7DT2
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BU of 7dt2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
Descriptor: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-04
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
5TIB
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BU of 5tib by Molmil
Gasdermin-B C-terminal domain containing the polymorphism residues Arg299:Ser306 fused to maltose binding protein
Descriptor: ACETATE ION, SODIUM ION, Sugar ABC transporter substrate-binding protein,Gasdermin-B, ...
Authors:Chao, K, Herzberg, O.
Deposit date:2016-10-01
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human Gasdermin-B and disease: Sulfatide Binding, Caspase cleavage, and Structural impact of Asthma- and IBS-Associated Polymorphism
Proc.Natl.Acad.Sci.Usa, 2017
6L3T
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BU of 6l3t by Molmil
Human Cx31.3/GJC3 connexin hemichannel in the absence of calcium
Descriptor: Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol
Authors:Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S.
Deposit date:2019-10-15
Release date:2020-09-09
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel.
Sci Adv, 6, 2020
2SGQ
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BU of 2sgq by Molmil
GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5
Descriptor: Ovomucoid, PHOSPHATE ION, Streptogrisin B
Authors:Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-03-25
Release date:2003-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's
To be Published

223790

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