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5T91
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BU of 5t91 by Molmil
Crystal structure of B. subtilis 168 GlpQ in complex with bicine
Descriptor: BICINE, CALCIUM ION, Glycerophosphoryl diester phosphodiesterase, ...
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2016-09-09
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Identification of Two Phosphate Starvation-induced Wall Teichoic Acid Hydrolases Provides First Insights into the Degradative Pathway of a Key Bacterial Cell Wall Component.
J. Biol. Chem., 291, 2016
3I5N
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BU of 3i5n by Molmil
Crystal structure of c-Met with triazolopyridazine inhibitor 13
Descriptor: 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor
Authors:Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3VSF
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BU of 3vsf by Molmil
Crystal structure of 1,3Gal43A, an exo-beta-1,3-Galactanase from Clostridium thermocellum
Descriptor: GLYCEROL, Ricin B lectin
Authors:Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
Deposit date:2012-04-25
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.757 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
2OR2
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BU of 2or2 by Molmil
Structure of the W47A/W242A Mutant of Bacterial Phosphatidylinositol-Specific Phospholipase C
Descriptor: 1-phosphatidylinositol phosphodiesterase
Authors:Shao, C, Shi, X, Wehbi, H, Zambonelli, C, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2007-02-01
Release date:2007-02-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C.
J.Biol.Chem., 282, 2007
4HB3
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BU of 4hb3 by Molmil
Crystal structure of CRM1(T539S)-Ran-RanBP1 with weakly bound unmodeled Leptomycin B
Descriptor: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
Authors:Sun, Q, Chook, Y.M.
Deposit date:2012-09-27
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
1K2H
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BU of 1k2h by Molmil
Three-dimensional Solution Structure of apo-S100A1.
Descriptor: S-100 protein, alpha chain
Authors:Rustandi, R.R, Baldisseri, D.M, Inman, K.G, Nizner, P, Hamilton, S.M, Landar, A, Landar, A, Zimmer, D.B, Weber, D.J.
Deposit date:2001-09-27
Release date:2002-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the calcium-signaling protein apo-S100A1 as determined by NMR.
Biochemistry, 41, 2002
3R3C
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BU of 3r3c by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant H64A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
4GDP
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BU of 4gdp by Molmil
Yeast polyamine oxidase FMS1, N195A mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Polyamine oxidase FMS1, TETRAETHYLENE GLYCOL
Authors:Taylor, A.B, Adachi, M.S, Hart, P.J, Fitzpatrick, P.F.
Deposit date:2012-08-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9998 Å)
Cite:Mechanistic and Structural Analyses of the Roles of Active Site Residues in Yeast Polyamine Oxidase Fms1: Characterization of the N195A and D94N Enzymes.
Biochemistry, 51, 2012
4GEY
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BU of 4gey by Molmil
High pH structure of Pseudomonas putida OprB
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, DECYL-BETA-D-MALTOPYRANOSIDE, PHOSPHATE ION, ...
Authors:van den Berg, B.
Deposit date:2012-08-02
Release date:2012-10-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for outer membrane sugar uptake in pseudomonads.
J.Biol.Chem., 287, 2012
3I63
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BU of 3i63 by Molmil
Peroxide Bound Toluene 4-Monooxygenase
Descriptor: FE (III) ION, HYDROGEN PEROXIDE, Toluene-4-monooxygenase system protein A, ...
Authors:Bailey, L.J, Fox, B.G.
Deposit date:2009-07-06
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystallographic and catalytic studies of the peroxide-shunt reaction in a diiron hydroxylase.
Biochemistry, 48, 2009
6B34
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BU of 6b34 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.27
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-GLN-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
3O9G
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BU of 3o9g by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with af53
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3ODQ
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BU of 3odq by Molmil
Structure of a Crystal Form of Human Methemoglobin Indicative of Fiber Formation
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2010-08-11
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of a crystal form of human methemoglobin indicative of fiber formation.
Acta Crystallogr.,Sect.D, 66, 2010
3W0M
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BU of 3w0m by Molmil
Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-Ia, apo form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Hygromycin-B 4-O-kinase
Authors:Iino, D, Takakura, Y, Fukano, K, Sasaki, Y, Hoshino, T, Ohsawa, K, Nakamura, A, Yajima, S.
Deposit date:2012-11-02
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the ternary complex of APH(4)-Ia/Hph with hygromycin B and an ATP analog using a thermostable mutant.
J.Struct.Biol., 183, 2013
3O9E
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BU of 3o9e by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with af60
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3E0W
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BU of 3e0w by Molmil
Crystal structure of pyruvate kinase from Leishmania mexicana
Descriptor: Pyruvate kinase
Authors:Tulloch, L.B, Gillmore, L.A, Walkinshaw, M.D.
Deposit date:2008-08-01
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Sulphate removal induces a major conformational change in Leishmania mexicana pyruvate kinase in the crystalline state.
J.Mol.Biol., 383, 2008
3TT6
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BU of 3tt6 by Molmil
Structure of ClpP from Bacillus subtilis in compressed state
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Lee, B.-G, Kim, M.K, Song, H.K.
Deposit date:2011-09-14
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Structural insights into the conformational diversity of ClpP from Bacillus subtilis
Mol.Cells, 32, 2011
2ANY
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BU of 2any by Molmil
Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors
Descriptor: BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ...
Authors:Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A.
Deposit date:2005-08-11
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
5U0K
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BU of 5u0k by Molmil
C-terminal ankyrin repeats from human liver-type glutaminase (GAB/LGA)
Descriptor: Glutaminase liver isoform, mitochondrial
Authors:Ferreira, I.M, Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B.
Deposit date:2016-11-24
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats.
J. Biol. Chem., 292, 2017
3R37
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BU of 3r37 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
1Q3P
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BU of 1q3p by Molmil
Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization
Descriptor: C-terminal hexapeptide from Guanylate kinase-associated protein, Shank1
Authors:Im, Y.J, Lee, J.H, Park, S.H, Park, S.J, Rho, S.-H, Kang, G.B, Kim, E, Eom, S.H.
Deposit date:2003-07-31
Release date:2004-01-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization
J.Biol.Chem., 278, 2003
3R3D
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BU of 3r3d by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
2E30
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BU of 2e30 by Molmil
Solution structure of the cytoplasmic region of Na+/H+ exchanger 1 complexed with essential cofactor calcineurin B homologous protein 1
Descriptor: CALCIUM ION, Calcium-binding protein p22, Sodium/hydrogen exchanger 1
Authors:Mishima, M, Wakabayashi, S, Kojima, C.
Deposit date:2006-11-19
Release date:2006-12-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the cytoplasmic region of Na+/H+ exchanger 1 complexed with essential cofactor calcineurin B homologous protein 1
J.Biol.Chem., 282, 2007
4KCF
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BU of 4kcf by Molmil
X-ray Structure of a KijD3 in Complex with FMN and dTDP-3-amino-2,3,6-trideoxy-4-keto-3-methyl-D-glucose
Descriptor: FAD-dependent oxidoreductase, FLAVIN MONONUCLEOTIDE, [(2R,4S,6R)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Authors:Holden, H.M, Thoden, J.B, Branch, M.C, Zimmer, A.L, Bruender, N.A.
Deposit date:2013-04-24
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Active site architecture of a sugar N-oxygenase.
Biochemistry, 52, 2013
7N99
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BU of 7n99 by Molmil
SDE2 SAP domain apo structure
Descriptor: Isoform 2 of Replication stress response regulator SDE2
Authors:Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H.
Deposit date:2021-06-17
Release date:2022-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks.
J.Biol.Chem., 298, 2022

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