3CCX
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![BU of 3ccx by Molmil](/molmil-images/mine/3ccx) | ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1995-03-17 | Release date: | 1995-07-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Altering substrate specificity at the heme edge of cytochrome c peroxidase. Biochemistry, 35, 1996
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1K0J
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![BU of 1k0j by Molmil](/molmil-images/mine/1k0j) | Pseudomonas aeruginosa phbh R220Q in complex with NADPH and free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, P-HYDROXYBENZOATE HYDROXYLASE, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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1K0L
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![BU of 1k0l by Molmil](/molmil-images/mine/1k0l) | Pseudomonas aeruginosa phbh R220Q free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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2ODY
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![BU of 2ody by Molmil](/molmil-images/mine/2ody) | Thrombin-bound boophilin displays a functional and accessible reactive-site loop | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Boophilin, PHOSPHATE ION, ... | Authors: | Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | Deposit date: | 2006-12-27 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Isolation, cloning and structural characterisation of boophilin, a multifunctional kunitz-type proteinase inhibitor from the cattle tick. Plos One, 3, 2008
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3CJO
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![BU of 3cjo by Molmil](/molmil-images/mine/3cjo) | Crystal structure of KSP in complex with inhibitor 30 | Descriptor: | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2008-03-13 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer. J.Med.Chem., 51, 2008
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1K0I
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![BU of 1k0i by Molmil](/molmil-images/mine/1k0i) | Pseudomonas aeruginosa phbh R220Q in complex with 100mM PHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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1KCB
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![BU of 1kcb by Molmil](/molmil-images/mine/1kcb) | Crystal Structure of a NO-forming Nitrite Reductase Mutant: an Analog of a Transition State in Enzymatic Reaction | Descriptor: | COPPER (II) ION, Nitrite Reductase | Authors: | Liu, S.Q, Chang, T, Liu, M.Y, LeGall, J, Chang, W.C, Zhang, J.P, Liang, D.C, Chang, W.R. | Deposit date: | 2001-11-07 | Release date: | 2003-11-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a NO-forming nitrite reductase mutant: an analog of a transition state in enzymatic reaction Biochem.Biophys.Res.Commun., 302, 2003
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1KGY
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![BU of 1kgy by Molmil](/molmil-images/mine/1kgy) | Crystal Structure of the EphB2-ephrinB2 complex | Descriptor: | EPHRIN TYPE-B RECEPTOR 2, EPHRIN-B2 | Authors: | Himanen, J.P, Rajashankar, K.R, Lackmann, M, Cowan, C.A, Henkemeyer, M, Nikolov, D.B. | Deposit date: | 2001-11-28 | Release date: | 2002-05-28 | Last modified: | 2017-02-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of an Eph receptor-ephrin complex. Nature, 414, 2001
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1ORD
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![BU of 1ord by Molmil](/molmil-images/mine/1ord) | CRYSTALLOGRAPHIC STRUCTURE OF A PLP-DEPENDENT ORNITHINE DECARBOXYLASE FROM LACTOBACILLUS 30A TO 3.1 ANGSTROMS RESOLUTION | Descriptor: | ORNITHINE DECARBOXYLASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Hackert, M.L, Momany, C, Ernst, S, Ghosh, R. | Deposit date: | 1995-02-08 | Release date: | 1995-09-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic structure of a PLP-dependent ornithine decarboxylase from Lactobacillus 30a to 3.0 A resolution. J.Mol.Biol., 252, 1995
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4J14
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![BU of 4j14 by Molmil](/molmil-images/mine/4j14) | Crystal Structure of Human Cytochrome P450 CYP46A1 with Posaconazole Bound | Descriptor: | Cholesterol 24-hydroxylase, GLYCEROL, POSACONAZOLE, ... | Authors: | Stout, C.D, Mast, N, Pikuleva, I.A. | Deposit date: | 2013-01-31 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antifungal Azoles: Structural Insights into Undesired Tight Binding to Cholesterol-Metabolizing CYP46A1. Mol.Pharmacol., 84, 2013
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3HD7
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![BU of 3hd7 by Molmil](/molmil-images/mine/3hd7) | HELICAL EXTENSION OF THE NEURONAL SNARE COMPLEX INTO THE MEMBRANE, spacegroup C 1 2 1 | Descriptor: | SULFATE ION, Synaptosomal-associated protein 25, Syntaxin-1A, ... | Authors: | Stein, A, Weber, G, Wahl, M.C, Jahn, R. | Deposit date: | 2009-05-07 | Release date: | 2009-07-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Helical extension of the neuronal SNARE complex into the membrane Nature, 460, 2009
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1QDL
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![BU of 1qdl by Molmil](/molmil-images/mine/1qdl) | THE CRYSTAL STRUCTURE OF ANTHRANILATE SYNTHASE FROM SULFOLOBUS SOLFATARICUS | Descriptor: | PROTEIN (ANTHRANILATE SYNTHASE (TRPE-SUBUNIT)), PROTEIN (ANTHRANILATE SYNTHASE (TRPG-SUBUNIT)) | Authors: | Knoechel, T, Ivens, A, Hester, G, Gonzalez, A, Bauerle, R, Wilmanns, M, Kirschner, K, Jansonius, J.N. | Deposit date: | 1999-05-20 | Release date: | 1999-08-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of anthranilate synthase from Sulfolobus solfataricus: functional implications. Proc.Natl.Acad.Sci.USA, 96, 1999
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1PU4
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![BU of 1pu4 by Molmil](/molmil-images/mine/1pu4) | Crystal structure of human vascular adhesion protein-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salminen, T.A, Airenne, T.T. | Deposit date: | 2003-06-24 | Release date: | 2005-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the human vascular adhesion protein-1: unique structural features with functional implications. Protein Sci., 14, 2005
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4GLI
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![BU of 4gli by Molmil](/molmil-images/mine/4gli) | Crystal Structure of Human SMN YG-Dimer | Descriptor: | Maltose-binding periplasmic protein, Survival motor neuron protein chimera | Authors: | Martin, R.S, Perry, K, Van Duyne, G.D. | Deposit date: | 2012-08-14 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | The survival motor neuron protein forms soluble glycine zipper oligomers. Structure, 20, 2012
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4GL7
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![BU of 4gl7 by Molmil](/molmil-images/mine/4gl7) | |
4JKI
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![BU of 4jki by Molmil](/molmil-images/mine/4jki) | Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ZD9331, Formylphosphate, and ADP | Descriptor: | 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | Authors: | Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2013-03-09 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors. Protein Sci., 21, 2012
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3GW9
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![BU of 3gw9 by Molmil](/molmil-images/mine/3gw9) | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide | Descriptor: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE | Authors: | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R. | Deposit date: | 2009-03-31 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections. J.Biol.Chem., 285, 2010
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1SFC
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![BU of 1sfc by Molmil](/molmil-images/mine/1sfc) | NEURONAL SYNAPTIC FUSION COMPLEX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PROTEIN (SNAP-25B), PROTEIN (SYNAPTOBREVIN 2), ... | Authors: | Sutton, R.B, Brunger, A.T. | Deposit date: | 1998-08-24 | Release date: | 1998-10-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a SNARE complex involved in synaptic exocytosis at 2.4 A resolution. Nature, 395, 1998
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1PS1
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![BU of 1ps1 by Molmil](/molmil-images/mine/1ps1) | PENTALENENE SYNTHASE | Descriptor: | PENTALENENE SYNTHASE, TRIMETHYL LEAD ION | Authors: | Lesburg, C.A, Christianson, D.W. | Deposit date: | 1997-03-23 | Release date: | 1998-03-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of pentalenene synthase: mechanistic insights on terpenoid cyclization reactions in biology. Science, 277, 1997
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4JIM
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![BU of 4jim by Molmil](/molmil-images/mine/4jim) | |
4JJK
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![BU of 4jjk by Molmil](/molmil-images/mine/4jjk) | Crystal Structure of N10-Formyltetrahydrofolate Synthetase with Folate | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, FOLIC ACID, ... | Authors: | Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2013-03-08 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors. Protein Sci., 21, 2012
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4JJZ
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![BU of 4jjz by Molmil](/molmil-images/mine/4jjz) | Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ADP and Formylphosphate | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | Authors: | Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2013-03-08 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors. Protein Sci., 21, 2012
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3FPP
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![BU of 3fpp by Molmil](/molmil-images/mine/3fpp) | Crystal structure of E.coli MacA | Descriptor: | Macrolide-specific efflux protein macA | Authors: | Yum, S, Xu, Y, Piao, S, Ha, N.-C. | Deposit date: | 2009-01-06 | Release date: | 2009-04-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal structure of the periplasmic component of a tripartite macrolide-specific efflux pump J.Mol.Biol., 387, 2009
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3G1Q
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![BU of 3g1q by Molmil](/molmil-images/mine/3g1q) | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | Authors: | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H. | Deposit date: | 2009-01-30 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections. J.Biol.Chem., 285, 2010
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4EJN
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![BU of 4ejn by Molmil](/molmil-images/mine/4ejn) | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | Authors: | Eathiraj, S. | Deposit date: | 2012-04-06 | Release date: | 2012-05-23 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
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