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6AY9
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BU of 6ay9 by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with CPSF6 peptide
Descriptor: CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein, ...
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2K
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BU of 6b2k by Molmil
E45A/R132T mutant of HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
8TJF
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BU of 8tjf by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
Descriptor: Fab Lambda light chain, IgG1 Fab heavy chain
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y, Chiang, C.
Deposit date:2023-07-21
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
8TI4
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BU of 8ti4 by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
Descriptor: GLYCEROL, IgG1 Fab heavy chain, mutated to promote correct pairing, ...
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y.
Deposit date:2023-07-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
7JTM
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BU of 7jtm by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST
Descriptor: Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
Authors:Sack, J.S.
Deposit date:2020-08-18
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization.
Bioorg.Med.Chem.Lett., 30, 2020
2PL5
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BU of 2pl5 by Molmil
Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans
Descriptor: GLYCEROL, Homoserine O-acetyltransferase
Authors:Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W.
Deposit date:2007-04-19
Release date:2007-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans
Biochem.Biophys.Res.Commun., 363, 2007
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
Descriptor: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-11-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
6AYA
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BU of 6aya by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Nup153 peptide
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2J
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BU of 6b2j by Molmil
E45A mutant of HIV-1 capsid protein (other crystal form)
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
1CEB
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BU of 1ceb by Molmil
THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRINGLE 1 DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID)
Descriptor: PLASMINOGEN, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1995-12-03
Release date:1996-04-03
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
Biochemistry, 35, 1996
8FB1
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BU of 8fb1 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 6a ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FG5
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BU of 8fg5 by Molmil
Apo mouse acidic mammalian chitinase, catalytic domain at 100 K
Descriptor: Acidic mammalian chitinase, MAGNESIUM ION
Authors:Diaz, R.E, Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
Deposit date:2022-12-12
Release date:2023-03-01
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FAV
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BU of 8fav by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ...
Authors:Vajdos, F.F.
Deposit date:2022-11-28
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FB2
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BU of 8fb2 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FRA
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BU of 8fra by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with diacetylchitobiose at pH 5.60
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-08
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRC
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BU of 8frc by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 4.91
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-08
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRB
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BU of 8frb by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 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)-2-acetylamino-2-deoxy-alpha-L-idopyranose, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-08
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRD
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BU of 8frd by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, MAGNESIUM ION
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-15
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FR9
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BU of 8fr9 by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.08
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-15
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
8FRG
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BU of 8frg by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-01-06
Release date:2023-03-15
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
2KOD
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BU of 2kod by Molmil
A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA
Descriptor: HIV-1 CA C-terminal domain
Authors:Byeon, I.-J.L, Jung, J, Ahn, J, concel, J, Gronenborn, A.M.
Deposit date:2009-09-18
Release date:2009-11-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural convergence between Cryo-EM and NMR reveals intersubunit interactions critical for HIV-1 capsid function.
Cell(Cambridge,Mass.), 139, 2009
7F3Y
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BU of 7f3y by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Tanramluk, D, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2021-06-17
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
7F3Z
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BU of 7f3z by Molmil
Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Tanramluk, D, Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2021-06-17
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
2KMU
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BU of 2kmu by Molmil
RecQL4 Amino-terminal Domain
Descriptor: ATP-dependent DNA helicase Q4
Authors:Ohlenschlager, O, Gorlach, M, Pospiech, H.
Deposit date:2009-08-05
Release date:2010-07-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The N-terminus of the human RecQL4 helicase is a homeodomain-like DNA interaction motif
Nucleic Acids Res., 40, 2012
5YE3
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BU of 5ye3 by Molmil
Crystal structure of the complex of di-acetylated histone H4 and 2A7D9 Fab fragment
Descriptor: 2A7D9 L chain, 2A7D9 VH CH1 chain, di-acetylated histone H4
Authors:Matsuda, T, Ito, T, Wakamori, M, Umehara, T.
Deposit date:2017-09-15
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states.
Epigenetics, 13, 2018

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数据于2024-07-24公开中

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