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5WWS
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BU of 5wws by Molmil
Crystal structure of human NSun6/tRNA/SAM
Descriptor: Putative methyltransferase NSUN6, S-ADENOSYLMETHIONINE, tRNA
Authors:Liu, R.J, Long, T, Wang, E.D.
Deposit date:2017-01-04
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.247 Å)
Cite:Structural basis for substrate binding and catalytic mechanism of a human RNA:m5C methyltransferase NSun6
Nucleic Acids Res., 45, 2017
1K74
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BU of 1k74 by Molmil
The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides.
Descriptor: (9cis)-retinoic acid, 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor gamma, ...
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M.
Deposit date:2001-10-18
Release date:2001-12-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
7LOE
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BU of 7loe by Molmil
T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene
Descriptor: 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
1APA
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BU of 1apa by Molmil
X-RAY STRUCTURE OF A POKEWEED ANTIVIRAL PROTEIN, CODED BY A NEW GENOMIC CLONE, AT 0.23 NM RESOLUTION. A MODEL STRUCTURE PROVIDES A SUITABLE ELECTROSTATIC FIELD FOR SUBSTRATE BINDING.
Descriptor: POKEWEED ANTIVIRAL PROTEIN
Authors:Ago, H, Kataoka, J, Tsuge, H, Habuka, N, Inagaki, E, Noma, M, Miyano, M.
Deposit date:1993-09-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure of a pokeweed antiviral protein, coded by a new genomic clone, at 0.23 nm resolution. A model structure provides a suitable electrostatic field for substrate binding.
Eur.J.Biochem., 225, 1994
1TRA
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BU of 1tra by Molmil
RESTRAINED REFINEMENT OF THE MONOCLINIC FORM OF YEAST PHENYLALANINE TRANSFER RNA. TEMPERATURE FACTORS AND DYNAMICS, COORDINATED WATERS, AND BASE-PAIR PROPELLER TWIST ANGLES
Descriptor: MAGNESIUM ION, TRNAPHE
Authors:Westhof, E, Sundaralingam, M.
Deposit date:1986-05-16
Release date:1986-07-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Restrained refinement of the monoclinic form of yeast phenylalanine transfer RNA. Temperature factors and dynamics, coordinated waters, and base-pair propeller twist angles.
Biochemistry, 25, 1986
7LOA
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BU of 7loa by Molmil
T4 lysozyme mutant L99A in complex with 3-fluoroiodobenzene
Descriptor: 1-fluoranyl-3-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
1OKO
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BU of 1oko by Molmil
Crystal structure of Pseudomonas Aeruginosa Lectin 1 complexed with galactose at 1.6 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ...
Authors:Cioci, G, Mitchell, E, Gautier, C, Wimmerova, M, Perez, S, Gilboa-Garber, N, Imberty, A.
Deposit date:2003-07-28
Release date:2003-12-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of Calcium and Galactose Recognition by the Lectin Pa-Il of Pseudomonas Aeruginosa
FEBS Lett., 555, 2003
7LOF
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BU of 7lof by Molmil
T4 lysozyme mutant L99A in complex with 2-butylthiophene
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-butylthiophene, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
1KAF
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BU of 1kaf by Molmil
DNA Binding Domain Of The Phage T4 Transcription Factor MotA (AA105-211)
Descriptor: Transcription regulatory protein MOTA
Authors:Li, N, Sickmier, E.A, Zhang, R, Joachimiak, A, White, S.W.
Deposit date:2001-11-01
Release date:2001-11-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The MotA transcription factor from bacteriophage T4 contains a novel DNA-binding domain: the 'double wing' motif.
Mol.Microbiol., 43, 2002
7WLS
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BU of 7wls by Molmil
Crystal structure of the multidrug efflux transporter BpeB from Burkholderia pseudomallei
Descriptor: Efflux pump membrane transporter, TETRAETHYLENE GLYCOL, UNDECYL-MALTOSIDE
Authors:Kato, T, Hung, L.-W, Yamashita, E, Okada, U, Terwilliger, T.C, Murakami, S.
Deposit date:2022-01-13
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structures of multidrug efflux transporters from Burkholderia pseudomallei suggest details of transport mechanism.
Proc.Natl.Acad.Sci.USA, 120, 2023
1BYY
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BU of 1byy by Molmil
SODIUM CHANNEL IIA INACTIVATION GATE
Descriptor: PROTEIN (SODIUM CHANNEL ALPHA-SUBUNIT)
Authors:Rohl, C.A, Boeckman, F.A, Baker, C, Scheuer, T, Catterall, W.A, Klevit, R.E.
Deposit date:1998-10-21
Release date:1999-10-29
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the sodium channel inactivation gate.
Biochemistry, 38, 1999
7LOD
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BU of 7lod by Molmil
T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene
Descriptor: 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-02-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
1BOQ
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BU of 1boq by Molmil
PRO REGION C-TERMINUS: PROTEASE ACTIVE SITE INTERACTIONS ARE CRITICAL IN CATALYZING THE FOLDING OF ALPHA-LYTIC PROTEASE
Descriptor: PROTEIN (ALPHA-LYTIC PROTEASE), SULFATE ION
Authors:Peters, R.J, Shiau, A.K, Sohl, J.L, Anderson, D.E, Tang, G, Silen, J.L, Agard, D.A.
Deposit date:1998-08-05
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pro region C-terminus:protease active site interactions are critical in catalyzing the folding of alpha-lytic protease.
Biochemistry, 37, 1998
4LMQ
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BU of 4lmq by Molmil
Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12
Descriptor: Stromal cell-derived factor 1, hu30D8 Fab heavy chain, hu30D8 Fab light chain
Authors:Zhong, Z, Wang, J, Li, B, Xiang, H, Ultsch, M, Coons, M, Wong, T, Chiang, N.Y, Clark, S, Clark, R, Quintana, L, Gribling, P, Suto, E, Barck, K, Corpuz, R, Yao, J, Takkar, R, Lee, W.P, Damico-Beyer, L.A, Carano, R.D, Adams, C, Kelley, R.F, Wang, W, Ferrara, N.
Deposit date:2013-07-10
Release date:2013-08-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12.
Clin.Cancer Res., 19, 2013
1Z9O
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BU of 1z9o by Molmil
1.9 Angstrom Crystal Structure of the Rat VAP-A MSP Homology Domain in Complex with the Rat ORP1 FFAT Motif
Descriptor: Oxysterol binding protein, Vesicle-associated membrane protein-associated protein A
Authors:Kaiser, S.E, Brickner, J.H, Reilein, A.R, Fenn, T.D, Walter, P, Brunger, A.T.
Deposit date:2005-04-03
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of FFAT motif-mediated ER targeting
Structure, 13, 2005
1BNX
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BU of 1bnx by Molmil
STRUCTURAL STUDIES ON THE EFFECTS OF THE DELETION IN THE RED CELL ANION EXCHANGER (BAND3, AE1) ASSOCIATED WITH SOUTH EAST ASIAN OVALOCYTOSIS.
Descriptor: PROTEIN (BAND 3)
Authors:Chambers, E.J, Bloomberg, G.B, Ring, S.M, Tanner, M.J.A.
Deposit date:1998-07-30
Release date:1998-08-05
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Studies on the structure of a transmembrane region and a cytoplasmic loop of the human red cell anion exchanger (band 3, AE1).
Biochem.Soc.Trans., 26, 1998
2I3F
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BU of 2i3f by Molmil
Crystal Structure of a Glycolipid transfer-like protein from Galdieria sulphuraria
Descriptor: glycolipid transfer-like protein
Authors:McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-08-18
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal Structure of a Glycolipid transfer-like protein from Galdieria sulphuraria
To be Published
5O2X
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BU of 5o2x by Molmil
Extended catalytic domain of H. jecorina LPMO9A a.k.a EG4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Glycoside hydrolase family 61, ...
Authors:Hansson, H, Karkehabadi, S, Mikkelsen, N.E, Sandgren, M, Kelemen, B, Kaper, T.
Deposit date:2017-05-23
Release date:2017-09-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High-resolution structure of a lytic polysaccharide monooxygenase from Hypocrea jecorina reveals a predicted linker as an integral part of the catalytic domain.
J. Biol. Chem., 292, 2017
5FRN
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BU of 5frn by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c)
Descriptor: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ...
Authors:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2015-12-18
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
4P7S
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BU of 4p7s by Molmil
Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
Descriptor: 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine, Macrophage migration inhibitory factor-like protein
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-03-27
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57, 2014
4PIW
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BU of 4piw by Molmil
Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12
Descriptor: TDP-4-keto-6-deoxy-D-glucose transaminase family protein
Authors:Wang, F, Xu, W, Helmich, K.E, Singh, S, Yennamalli, R.M, Miller, M.D, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-05-09
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12
To Be Published
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
1R5T
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BU of 1r5t by Molmil
The Crystal Structure of Cytidine Deaminase CDD1, an Orphan C to U editase from Yeast
Descriptor: Cytidine deaminase, ZINC ION
Authors:Xie, K, Sowden, M.P, Dance, G.S.C, Torelli, A.T, Smith, H.C, Wedekind, J.E.
Deposit date:2003-10-13
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of a yeast RNA-editing deaminase provides insight into the fold and function of activation-induced deaminase and APOBEC-1.
Proc.Natl.Acad.Sci.Usa, 101, 2004
8DOA
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BU of 8doa by Molmil
Solution structure of a model HEEH mini-protein (HEEH_TK_rd5_0958)
Descriptor: HEEH mini-protein TK_rd5_0958
Authors:Houliston, S, Kim, T.-E, Rocklin, G, Arrowsmith, C.H.
Deposit date:2022-07-12
Release date:2022-10-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
1BW7
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BU of 1bw7 by Molmil
SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING A REPLICABLE DIFLUOROTOLUENE-ADENINE PAIR
Descriptor: DNA (5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*CP*AP*AP*TP*GP*CP*G)-3')
Authors:Guckian, K.M, Krugh, T.R, Kool, E.T.
Deposit date:1998-09-30
Release date:1998-10-07
Last modified:2024-04-10
Method:SOLUTION NMR
Cite:Solution structure of a DNA duplex containing a replicable difluorotoluene-adenine pair.
Nat.Struct.Biol., 5, 1998

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