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1R42
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BU of 1r42 by Molmil
Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ...
Authors:Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
Deposit date:2003-10-07
Release date:2004-02-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
1R4L
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BU of 1r4l by Molmil
Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2)
Descriptor: (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W.
Deposit date:2003-10-07
Release date:2004-02-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
3HHA
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BU of 3hha by Molmil
Crystal structure of cathepsin L in complex with AZ12878478
Descriptor: ACETATE ION, Cathepsin L1, GLYCEROL, ...
Authors:Asaad, N, Bethel, P.A, Coulson, M.D, Dawson, J, Ford, S.J, Gerhardt, S, Grist, M, Hamlin, G.A, James, M.J, Jones, E.V, Karoutchi, G.I, Kenny, P.W, Morley, A.D, Oldham, K, Rankine, N, Ryan, D, Wells, S.L, Wood, L, Augustin, M, Krapp, S, Simader, H, Steinbacher, S.
Deposit date:2009-05-15
Release date:2009-06-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5D7C
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BU of 5d7c by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7R
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BU of 5d7r by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-14
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
2YIG
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BU of 2yig by Molmil
MMP13 in complex with a novel selective non zinc binding inhibitor
Descriptor: 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, CALCIUM ION, COLLAGENASE 3, ...
Authors:Gerhardt, S, Hargreaves, D.
Deposit date:2011-05-13
Release date:2011-06-29
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21, 2011
2OAZ
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BU of 2oaz by Molmil
Human Methionine Aminopeptidase-2 Complexed with SB-587094
Descriptor: COBALT (II) ION, N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE, human Methionine Amino Peptidase 2
Authors:Marino Jr, J.P, Fisher, P.W, Hofmann, G.A, Kirkpatrick, R, Janson, C.A, Johnson, R.K, Ma, C, Mattern, M, Meek, T.D, Ryan, D, Schulz, C, Smith, W.W, Tew, D.G, Tomazek Jr, T.A, Veber, D.F, Xiong, W.C, Yamamoto, Y, Yamashita, K, Yang, G, Thompson, S.K.
Deposit date:2006-12-18
Release date:2007-06-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.
J.Med.Chem., 50, 2007

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