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4MGH
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BU of 4mgh by Molmil
Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R.
Deposit date:2013-08-28
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013
3C0K
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BU of 3c0k by Molmil
Crystal Structure of a ribosomal RNA methyltranferase
Descriptor: UPF0064 protein yccW
Authors:Subramanian, S, Jayaraman, S, Bujnicki, J.
Deposit date:2008-01-21
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the Escherichia coli 23S rRNA:m5C methyltransferase RlmI (YccW) reveals evolutionary links between RNA modification enzymes
J.Mol.Biol., 383, 2008
4M0F
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BU of 4m0f by Molmil
Structure of human acetylcholinesterase in complex with territrem B
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L.
Deposit date:2013-08-01
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
1WU1
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BU of 1wu1 by Molmil
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
Descriptor: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2004-11-29
Release date:2005-11-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005
4P6L
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BU of 4p6l by Molmil
Crystal Structure of the Computationally Designed Transmembrane Metallotransporter in Octyl Glucoside
Descriptor: Computationally Designed Transporter of Zn(II) and proton
Authors:Joh, N.H, Acharya, R, DeGrado, W.F.
Deposit date:2014-03-25
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
2XQS
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BU of 2xqs by Molmil
Microscopic rotary mechanism of ion translocation in the Fo complex of ATP synthases
Descriptor: ATP SYNTHASE C CHAIN, CYMAL-4
Authors:Pogoryelov, D, Krah, A, Langer, J, Yildiz, O, Faraldo-Gomez, J.D, Meier, T.
Deposit date:2010-09-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases
Nat.Chem.Biol., 6, 2010
1FZV
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BU of 1fzv by Molmil
THE CRYSTAL STRUCTURE OF HUMAN PLACENTA GROWTH FACTOR-1 (PLGF-1), AN ANGIOGENIC PROTEIN AT 2.0A RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PLACENTA GROWTH FACTOR
Authors:Iyer, S, Leonidas, D.D, Swaminathan, G.J, Maglione, D, Battisti, M, Tucci, M, Persico, M.G, Acharya, K.R.
Deposit date:2000-10-04
Release date:2001-05-09
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human placenta growth factor-1 (PlGF-1), an angiogenic protein, at 2.0 A resolution.
J.Biol.Chem., 276, 2001
2XSU
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BU of 2xsu by Molmil
Crystal structure of the A72G mutant of Acinetobacter radioresistens catechol 1,2 dioxygenase
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, CATECHOL 1,2 DIOXYGENASE, FE (III) ION
Authors:Micalella, C, Martignon, S, Bruno, S, Rizzi, M.
Deposit date:2010-09-30
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-Ray Crystallography, Mass Spectrometry and Single Crystal Microspectrophotometry: A Multidisciplinary Characterization of Catechol 1,2 Dioxygenase.
Biochim.Biophys.Acta, 1814, 2011
3DS1
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HIV-1 capsid C-terminal domain mutant (E187A) in complex with an inhibitor of particle assembly (CAI)
Descriptor: HIV-1 CAPSID PROTEIN, Peptide Inhibitor of capsid assembly
Authors:Vaney, M.-C, Igonet, S, Rey, F.A.
Deposit date:2008-07-11
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
2ORJ
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BU of 2orj by Molmil
crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with N-acetyl mannosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-mannopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
Authors:Head, J.F.
Deposit date:2007-02-02
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Critical Role of Arg/Lys343 in the Species-Dependent Recognition of Phosphatidylinositol by Pulmonary Surfactant Protein D.
Biochemistry, 46, 2007
1A48
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BU of 1a48 by Molmil
SAICAR SYNTHASE
Descriptor: PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE, SULFATE ION
Authors:Levdikov, V.M, Melik-Adamyan, W.R, Lamzin, V.S, Wilson, K.S.
Deposit date:1998-02-12
Release date:1999-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of SAICAR synthase: an enzyme in the de novo pathway of purine nucleotide biosynthesis.
Structure, 6, 1998
3UVF
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BU of 3uvf by Molmil
Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ...
Authors:Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A.
Deposit date:2011-11-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 2012
1HI4
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BU of 1hi4 by Molmil
Eosinophil-derived Neurotoxin (EDN) - Adenosien-3'-5'-Diphosphate Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, EOSINOPHIL-DERIVED NEUROTOXIN
Authors:Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R.
Deposit date:2001-01-02
Release date:2001-05-31
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
2Y6T
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BU of 2y6t by Molmil
Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis
Descriptor: CHYMOTRYPSINOGEN A, ECOTIN, SULFATE ION
Authors:Clark, E.A, Walker, N, Ford, D.C, Cooper, I.A, Oyston, P.C.F, Acharya, K.R.
Deposit date:2011-01-26
Release date:2011-04-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia Pestis.
J.Biol.Chem., 286, 2011
2XOK
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BU of 2xok by Molmil
Refined structure of yeast F1c10 ATPase complex to 3 A resolution
Descriptor: ATP SYNTHASE, ATP SYNTHASE CATALYTIC SECTOR F1 EPSILON SUBUNIT, ATP SYNTHASE SUBUNIT 9, ...
Authors:Stock, D, W Leslie, A.G, Walker, J.E.
Deposit date:2010-08-18
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Molecular architecture of the rotary motor in ATP synthase.
Science, 286, 1999
2XQT
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Microscopic rotary mechanism of ion translocation in the Fo complex of ATP synthases
Descriptor: ATP SYNTHASE C CHAIN, CYMAL-4, DICYCLOHEXYLUREA
Authors:Pogoryelov, D, Krah, A, Langer, J, Yildiz, O, Faraldo-Gomez, J.D, Meier, T.
Deposit date:2010-09-07
Release date:2010-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases
Nat.Chem.Biol., 6, 2010
3DS0
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BU of 3ds0 by Molmil
HIV-1 capsid C-terminal domain mutant (N183A) in complex with an inhibitor of particle assembly (CAI)
Descriptor: HIV-1 CAPSID PROTEIN, Peptide inhibitor of capsid assembly
Authors:Igonet, S, Vaney, M.C, Rey, F.A.
Deposit date:2008-07-11
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
3DS2
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BU of 3ds2 by Molmil
HIV-1 capsid C-terminal domain mutant (Y169A)
Descriptor: HIV-1 CAPSID PROTEIN
Authors:Vaney, M.-C, Igonet, S, Rey, F.A.
Deposit date:2008-07-11
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
1G6D
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BU of 1g6d by Molmil
STRUCTURE OF PEPTIDYL-D(CGCAATTGCG) IN THE PRESENCE OF ZINC IONS
Descriptor: PEPTIDYL-D(CGCAATTGCG), ZINC ION
Authors:Soler-Lopez, M, Malinina, L, Tereshko, V, Zarytova, V, Subirana, J.A.
Deposit date:2000-11-04
Release date:2002-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interaction of zinc ions with d(CGCAATTGCG) in a 2.9 A resolution X-ray structure.
J.Biol.Inorg.Chem., 7, 2002
2YGL
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BU of 2ygl by Molmil
The X-ray crystal structure of tandem CBM51 modules of Sp3GH98, the family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71
Descriptor: BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE, CALCIUM ION
Authors:Higgins, M.A, Ficko-Blean, E, Wright, C, Meloncelli, P.J, Lowary, T.L, Boraston, A.B.
Deposit date:2011-04-18
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes.
J.Mol.Biol., 411, 2011
4MQR
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Mycobaterium tuberculosis transaminase BioA complexed with E)-5-hydroxy-4-(((Z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4-dihydropyridin-3-yl)methyl phosphate
Descriptor: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
3DSJ
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BU of 3dsj by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase Variant (F137L) (At-AOS(F137L), cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.60 A Resolution
Descriptor: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A, chloroplast, ...
Authors:Lee, D.S, Nioche, P, Raman, C.S.
Deposit date:2008-07-12
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
3DS5
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BU of 3ds5 by Molmil
HIV-1 capsid C-terminal domain mutant (N183A)
Descriptor: HIV-1 CAPSID PROTEIN
Authors:Igonet, S, Vaney, M.C, Rey, F.A.
Deposit date:2008-07-11
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
3TM2
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BU of 3tm2 by Molmil
Crystal structure of mature ThnT with a covalently bound product mimic
Descriptor: (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide, cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-08-30
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
3DSI
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BU of 3dsi by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution
Descriptor: (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, Cytochrome P450 74A, chloroplast, ...
Authors:Lee, D.S, Nioche, P, Raman, C.S.
Deposit date:2008-07-12
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008

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