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6IY9
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BU of 6iy9 by Molmil
Crystal structure of aminoglycoside 7"-phoshotransferase-Ia (APH(7")-Ia/HYG) from Streptomyces hygroscopicus complexed with hygromycin B
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRATE ANION, HYGROMYCIN B VARIANT, ...
Authors:Takenoya, M, Shimamura, T, Yamanaka, R, Adachi, Y, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S.
Deposit date:2018-12-14
Release date:2019-09-11
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the substrate recognition of aminoglycoside 7''-phosphotransferase-Ia from Streptomyces hygroscopicus.
Acta Crystallogr.,Sect.F, 75, 2019
5VVV
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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
6LT6
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BU of 6lt6 by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with lysophosphatidylcholine
Descriptor: (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
Authors:Shima, Y, Morita, D.
Deposit date:2020-01-21
Release date:2020-04-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
6NE5
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BU of 6ne5 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer
Descriptor: 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2018-12-17
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62, 2019
4FAI
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BU of 4fai by Molmil
Crystal structure of mitochondrial isoform of glutaminyl cyclase from Drosophila melanogaster
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, CG5976, isoform B, ...
Authors:Kolenko, P, Koch, B, Ruiz-Carilo, D, Stubbs, M.T.
Deposit date:2012-05-22
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Biochemistry, 51, 2012
5GHV
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BU of 5ghv by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
1Q53
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BU of 1q53 by Molmil
SOLUTION STRUCTURE OF HYPOTHETICAL ARABIDOPSIS THALIANA PROTEIN AT3G17210. CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS TARGET 13081
Descriptor: expressed protein: At3g17210
Authors:Lytle, B.L, Peterson, F.C, Volkman, B.F, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2003-08-06
Release date:2003-08-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the hypothetical protein At3g17210 from Arabidopsis thaliana.
J.Biomol.Nmr, 28, 2004
3CDK
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BU of 3cdk by Molmil
Crystal structure of the co-expressed succinyl-CoA transferase A and B complex from Bacillus subtilis
Descriptor: Succinyl-CoA:3-ketoacid-coenzyme A transferase subunit A, Succinyl-CoA:3-ketoacid-coenzyme A transferase subunit B
Authors:Kim, Y, Zhou, M, Stols, L, Eschenfeldt, W, Donnelly, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-27
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of the co-expressed succinyl-CoA transferase A and B complex from Bacillus subtilis.
To be Published
3CE3
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BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-02-28
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
5A94
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BU of 5a94 by Molmil
Crystal structure of beta-Glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 1
Descriptor: CHLORIDE ION, MAGNESIUM ION, PUTATIVE RETAINING B-GLYCOSIDASE, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-17
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
4E6Q
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BU of 4e6q by Molmil
JAK2 kinase (JH1 domain) triple mutant in complex with compound 12
Descriptor: 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-03-15
Release date:2012-05-30
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4PMI
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BU of 4pmi by Molmil
Crystal structure of Rev and Rev-response-element RNA complex
Descriptor: PHOSPHATE ION, Protein Rev, Rev-Response-Element RNA
Authors:Jayaraman, B, Crosby, D.C, Homer, C, Ribeiro, I, Mavor, D, Frankel, A.D.
Deposit date:2014-05-21
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:RNA-directed remodeling of the HIV-1 protein Rev orchestrates assembly of the Rev-Rev response element complex.
Elife, 4, 2014
7NF8
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BU of 7nf8 by Molmil
Ovine (b0,+AT-rBAT)2 hetero-tetramer, asymmetric unit, rigid-body fitted
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lee, Y, Kuehlbrandt, W.
Deposit date:2021-02-05
Release date:2022-01-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria.
Nat Commun, 13, 2022
7NF6
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BU of 7nf6 by Molmil
Ovine b0,+AT-rBAT heterodimer
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lee, Y, Kuehlbrandt, W.
Deposit date:2021-02-05
Release date:2022-01-19
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria.
Nat Commun, 13, 2022
5A95
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BU of 5a95 by Molmil
Crystal structure of beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A, form 2
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
Deposit date:2015-07-17
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
1PXB
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BU of 1pxb by Molmil
CRYSTAL STRUCTURES OF MUTANT PSEUDOMONAS AERUGINOSA P-HYDROXYBENZOATE HYDROXYLASE: THE TYR201PHE, TYR385PHE, AND ASN300ASP VARIANTS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Lah, M.S, Palfey, B.A, Schreuder, H.A, Ludwig, M.L.
Deposit date:1994-09-27
Release date:1995-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of mutant Pseudomonas aeruginosa p-hydroxybenzoate hydroxylases: the Tyr201Phe, Tyr385Phe, and Asn300Asp variants.
Biochemistry, 33, 1994
1M1Y
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BU of 1m1y by Molmil
Chemical Crosslink of Nitrogenase MoFe Protein and Fe Protein
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Schmid, B, Einsle, O, Chiu, H.J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C.
Deposit date:2002-06-20
Release date:2003-02-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4- Stabilized Structure
Biochemistry, 41, 2002
3KW7
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BU of 3kw7 by Molmil
Crystal structure of LacB from Trametes sp. AH28-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Ge, H.H, Teng, M.K, Niu, L.W.
Deposit date:2009-12-01
Release date:2010-03-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Structure of native laccase B from Trametes sp. AH28-2
Acta Crystallogr.,Sect.F, 66, 2010
1R4H
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BU of 1r4h by Molmil
NMR Solution structure of the IIIc domain of GB Virus B IRES Element
Descriptor: 5'-R(*GP*GP*GP*CP*AP*AP*GP*CP*CP*C)-3'
Authors:Kaluarachchi, K, Thiviyanathan, V, Rijinbrand, R, Lemon, S.M, Gorenstein, D.G.
Deposit date:2003-10-06
Release date:2004-10-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Mutational and structural analysis of stem-loop IIIC of the hepatitis C virus and GB virus B internal ribosome entry sites.
J.Mol.Biol., 343, 2004
3GPN
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BU of 3gpn by Molmil
Structure of the non-trimeric form of the E113G PCNA mutant protein
Descriptor: Proliferating cell nuclear antigen
Authors:Freudenthal, B.D, Gakhar, L, Ramaswamy, S, Washington, M.T.
Deposit date:2009-03-23
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A charged residue at the subunit interface of PCNA promotes trimer formation by destabilizing alternate subunit interactions.
Acta Crystallogr.,Sect.D, 65, 2009
2QIO
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BU of 2qio by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with Triclosan
Descriptor: Enoyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Klein, G.M, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-07-05
Release date:2008-07-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Design and synthesis of aryl ether inhibitors of the Bacillus anthracis enoyl-ACP reductase.
Chemmedchem, 3, 2008
3GNV
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BU of 3gnv by Molmil
HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 1b
Descriptor: (11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, GLYCEROL, RNA-directed RNA polymerase
Authors:De Bondt, H, Nyanguile, O.
Deposit date:2009-03-18
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009
2QTM
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BU of 2qtm by Molmil
Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase
Descriptor: COBALT (II) ION, GLYCEROL, Nicotinate (Nicotinamide) nucleotide adenylyltransferase
Authors:Sershon, V.C, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-08-02
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and X-ray structural evidence for negative cooperativity in substrate binding to nicotinate mononucleotide adenylyltransferase (NMAT) from Bacillus anthracis.
J.Mol.Biol., 385, 2009
3H9A
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BU of 3h9a by Molmil
Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in triclinic form
Descriptor: 3-PHENYLPYRUVIC ACID, Bacilysin biosynthesis protein bacB, COBALT (II) ION, ...
Authors:Rajavel, M, Gopal, B.
Deposit date:2009-04-30
Release date:2010-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Analysis of multiple crystal forms of Bacillus subtilis BacB suggests a role for a metal ion as a nucleant for crystallization
Acta Crystallogr.,Sect.D, 66, 2010
1ICW
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BU of 1icw by Molmil
INTERLEUKIN-8, MUTANT WITH GLU 38 REPLACED BY CYS AND CYS 50 REPLACED BY ALA
Descriptor: INTERLEUKIN-8
Authors:Eigenbrot, C, Lowman, H.B, Chee, L, Artis, D.R.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural change and receptor binding in a chemokine mutant with a rearranged disulfide: X-ray structure of E38C/C50AIL-8 at 2 A resolution.
Proteins, 27, 1997

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