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3BH7
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BU of 3bh7 by Molmil
Crystal structure of the RP2-Arl3 complex bound to GDP-AlF4
Descriptor: ADP-ribosylation factor-like protein 3, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Veltel, S, Gasper, R, Wittinghofer, A.
Deposit date:2007-11-28
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The retinitis pigmentosa 2 gene product is a GTPase-activating protein for Arf-like 3
Nat.Struct.Mol.Biol., 15, 2008
2PMO
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BU of 2pmo by Molmil
Crystal structure of PfPK7 in complex with hymenialdisine
Descriptor: 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, Ser/Thr protein kinase
Authors:Merckx, A, Echalier, A, Noble, M, Endicott, J.
Deposit date:2007-04-23
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of P. falciparum protein kinase 7 identify an activation motif and leads for inhibitor design.
Structure, 16, 2008
3B8Y
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Crystal Structure of Pectate Lyase PelI from Erwinia chrysanthemi in complex with tetragalacturonic acid
Descriptor: CALCIUM ION, Endo-pectate lyase, ZINC ION, ...
Authors:Creze, C, Castang, S, Derivery, E, Haser, R, Shevchik, V, Gouet, P.
Deposit date:2007-11-02
Release date:2008-04-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate
J.Biol.Chem., 283, 2008
3BJQ
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CRYSTAL STRUCTURE OF A PHAGE-RELATED PROTEIN (BB3626) FROM BORDETELLA BRONCHISEPTICA RB50 AT 2.05 A RESOLUTION
Descriptor: CHLORIDE ION, Phage-related protein, TETRAETHYLENE GLYCOL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-12-04
Release date:2007-12-18
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of phage-related protein (NP_890161.1) from Bordetella bronchiseptica at 2.05 A resolution
To be published
1OWD
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BU of 1owd by Molmil
Substituted 2-Naphthamidine inhibitors of urokinase
Descriptor: 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
Authors:Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
3B9R
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BU of 3b9r by Molmil
SERCA Ca2+-ATPase E2 aluminium fluoride complex without thapsigargin
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Olesen, C, Picard, M, Winther, A.M.L, Morth, J.P, Moller, J.V, Nissen, P.
Deposit date:2007-11-06
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structural basis of calcium transport by the calcium pump
Nature, 450, 2007
4B83
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BU of 4b83 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-methoxy-benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
1OWK
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Substituted 2-Naphthamidine Inhibitors of Urokinase
Descriptor: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
Authors:Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
3C1A
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BU of 3c1a by Molmil
Crystal structure of a putative oxidoreductase (ZP_00056571.1) from Magnetospirillum magnetotacticum MS-1 at 1.85 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Putative oxidoreductase, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-01-22
Release date:2008-02-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a putative oxidoreductase (ZP_00056571.1) from Magnetospirillum magnetotacticum MS-1 at 1.85 A resolution
To be published
3BSN
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BU of 3bsn by Molmil
Norwalk Virus polymerase bound to 5-nitrocytidine triphosphate and primer-template RNA
Descriptor: 5-nitrocytidine 5'-(tetrahydrogen triphosphate), GLYCEROL, MANGANESE (II) ION, ...
Authors:Zamyatkin, D.F, Ng, K.K.S.
Deposit date:2007-12-26
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into mechanisms of catalysis and inhibition in norwalk virus polymerase.
J.Biol.Chem., 283, 2008
3BMZ
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BU of 3bmz by Molmil
Violacein biosynthetic enzyme VioE
Descriptor: Putative uncharacterized protein, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Ryan, K.S, Drennan, C.L.
Deposit date:2007-12-13
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:The Violacein Biosynthetic Enzyme VioE Shares a Fold with Lipoprotein Transporter Proteins
J.Biol.Chem., 283, 2008
2PKK
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BU of 2pkk by Molmil
Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-04-17
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
3BYQ
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Crystal structure of a duf1185 family protein (bb2672) from bordetella bronchiseptica rb50 at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-01-16
Release date:2008-01-29
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the first representatives of Pfam family PF06684 (DUF1185) reveal a novel variant of the Bacillus chorismate mutase fold and suggest a role in amino-acid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
2HG1
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BU of 2hg1 by Molmil
N-Domain Of Grp94 In Complex With the Novel Ligand N-(2-hydroxyl)ethyl Carboxyamido Adenosine
Descriptor: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Endoplasmin, MAGNESIUM ION, ...
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-06-26
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-Domain Of Grp94 In Complex With the Novel Ligand N-(2-hydroxyl)ethyl Carboxyamido Adenosine
To be Published
4B3V
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BU of 4b3v by Molmil
Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 20mM of Calcium Acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Vaney, M.C, DuBois, R.M, Tortorici, M.A, Rey, F.A.
Deposit date:2012-07-26
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
1KQZ
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Hevamine Mutant D125A/E127A/Y183F in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
3C7F
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BU of 3c7f by Molmil
Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from bacillus subtilis in complex with xylotriose.
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase, FORMIC ACID, ...
Authors:Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M.
Deposit date:2008-02-07
Release date:2008-11-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family.
Biochem.J., 418, 2009
7XBZ
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BU of 7xbz by Molmil
Crystal structure of Staphylococcus aureus ClpP in complex with R-ZG197
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Wei, B.Y, Gan, J.H, Yang, C.-G.
Deposit date:2022-03-22
Release date:2022-11-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
1F9D
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BU of 1f9d by Molmil
Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellotetraose
Descriptor: CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R.
Deposit date:2000-07-10
Release date:2000-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
2Q55
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Crystal structure of KK44 bound to HIV-1 protease
Descriptor: (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2007-05-31
Release date:2007-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres.
J.Med.Chem., 50, 2007
2ZBS
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BU of 2zbs by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain apo form
Descriptor: Estrogen-related receptor gamma
Authors:Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
Deposit date:2007-10-27
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373, 2008
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
Authors:Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
1KPM
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First Structural Evidence of a Specific Inhibition of Phospholipase A2 by Vitamin E and its Implications in Inflammation: Crystal Structure of the Complex Formed between Phospholipase A2 and Vitamin E at 1.8 A Resolution.
Descriptor: ACETIC ACID, Phospholipase A2, VITAMIN E
Authors:Chandra, V, Jasti, J, Kaur, P, Betzel, C, Srinivasan, A, Singh, T.P.
Deposit date:2002-01-01
Release date:2002-07-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:First Structural Evidence of a Specific Inhibition of Phospholipase A2 by alpha-Tocopherol (Vitamin E) and its Implications in Inflammation: Crystal Structure of the Complex Formed Between Phospholipase A2 and alpha-Tocopherol at 1.8 A Resolution
J.Mol.Biol., 320, 2002
2ZAS
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BU of 2zas by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with 4-alpha-cumylphenol, a bisphenol A derivative
Descriptor: 4-(1-methyl-1-phenylethyl)phenol, Estrogen-related receptor gamma, GLYCEROL
Authors:Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
Deposit date:2007-10-09
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373, 2008
2Q2N
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Crystal structure of Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
Descriptor: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Authors:Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
Deposit date:2007-05-29
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008

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