4M10
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![BU of 4m10 by Molmil](/molmil-images/mine/4m10) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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4AJF
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![BU of 4ajf by Molmil](/molmil-images/mine/4ajf) | Identification and structural characterization of PDE10 fragment inhibitors | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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4A2S
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![BU of 4a2s by Molmil](/molmil-images/mine/4a2s) | Structure of the engineered retro-aldolase RA95.5 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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4OTY
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![BU of 4oty by Molmil](/molmil-images/mine/4oty) | Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-02-14 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib. Bioorg.Med.Chem.Lett., 23, 2013
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1ZZP
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![BU of 1zzp by Molmil](/molmil-images/mine/1zzp) | Solution structure of the F-actin binding domain of Bcr-Abl/c-Abl | Descriptor: | Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Hantschel, O, Wiesner, S, Guttler, T, Mackereth, C.D, Rix, L.L.R, Mikes, Z, Dehne, J, Gorlich, D, Sattler, M, Superti-Furga, G. | Deposit date: | 2005-06-14 | Release date: | 2005-08-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Cytoskeletal Association of Bcr-Abl/c-Abl. Mol.Cell, 19, 2005
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4M11
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![BU of 4m11 by Molmil](/molmil-images/mine/4m11) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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2WRZ
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![BU of 2wrz by Molmil](/molmil-images/mine/2wrz) | Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state | Descriptor: | L-ARABINOSE-BINDING PERIPLASMIC PROTEIN | Authors: | Schreier, B, Stumpp, C, Wiesner, S, Hocker, B. | Deposit date: | 2009-09-03 | Release date: | 2009-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Computational Design of Ligand Binding is not a Solved Problem Proc.Natl.Acad.Sci.USA, 106, 2009
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2Y5K
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![BU of 2y5k by Molmil](/molmil-images/mine/2y5k) | Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | Descriptor: | 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1 | Authors: | Ruf, A, Hebeisen, P, Haap, W, Kuhn, B, Mohr, P, Wessel, H.P, Zutter, U, Kirchner, S, Benz, J, Joseph, C, Alvarez-Sanchez, R, Gubler, M, Schott, B, Benardeau, A, Tozzo, E, Kitas, E. | Deposit date: | 2011-01-14 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase. Bioorg.Med.Chem.Lett., 21, 2011
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4OTJ
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![BU of 4otj by Molmil](/molmil-images/mine/4otj) | The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide | Descriptor: | (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-02-13 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors. Acs Chem.Biol., 11, 2016
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1SVN
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![BU of 1svn by Molmil](/molmil-images/mine/1svn) | SAVINASE | Descriptor: | CALCIUM ION, SAVINASE (TM) | Authors: | Betzel, C, Klupsch, S, Papendorf, G, Hastrup, S, Branner, S, Wilson, K.S. | Deposit date: | 1995-09-01 | Release date: | 1996-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the alkaline proteinase Savinase from Bacillus lentus at 1.4 A resolution. J.Mol.Biol., 223, 1992
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2Y5L
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![BU of 2y5l by Molmil](/molmil-images/mine/2y5l) | orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | Descriptor: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide | Authors: | ruf, a, hebeisen, p, haap, w, kuhn, b, mohr, p, wessel, h.p, zutter, u, kirchner, s, benz, j, joseph, c, alvarez-sanchez, r, gubler, m, schott, b, benardeau, a, tozzo, e, kitas, e. | Deposit date: | 2011-01-14 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase. Bioorg.Med.Chem.Lett., 21, 2011
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2HZS
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![BU of 2hzs by Molmil](/molmil-images/mine/2hzs) | Structure of the Mediator head submodule Med8C/18/20 | Descriptor: | RNA polymerase II mediator complex subunit 18, RNA polymerase II mediator complex subunit 20, RNA polymerase II mediator complex subunit 8 | Authors: | Lariviere, L, Geiger, S, Hoeppner, S, Rother, S, Straesser, K, Cramer, P. | Deposit date: | 2006-08-09 | Release date: | 2006-09-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and TBP binding of the Mediator head subcomplex Med8-Med18-Med20. Nat.Struct.Mol.Biol., 13, 2006
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4AJG
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![BU of 4ajg by Molmil](/molmil-images/mine/4ajg) | Identification and structural characterization of PDE10 fragment inhibitors | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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2MMZ
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![BU of 2mmz by Molmil](/molmil-images/mine/2mmz) | Solution structure of the apo form of human glutaredoxin 5 | Descriptor: | Glutaredoxin-related protein 5, mitochondrial | Authors: | Banci, L, Brancaccio, D, Ciofi-Baffoni, S, Del Conte, R, Gadepalli, R, Mikolajczyk, M, Neri, S, Piccioli, M, Winkelmann, J. | Deposit date: | 2014-03-25 | Release date: | 2014-04-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | [2Fe-2S] cluster transfer in iron-sulfur protein biogenesis. Proc.Natl.Acad.Sci.USA, 111, 2014
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1GMC
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![BU of 1gmc by Molmil](/molmil-images/mine/1gmc) | THE X-RAY CRYSTAL STRUCTURE OF THE TETRAHEDRAL INTERMEDIATE OF GAMMA-CHYMOTRYPSIN IN HEXANE | Descriptor: | GAMMA-CHYMOTRYPSIN A, PRO GLY ALA TYR PEPTIDE | Authors: | Yennawar, N.H, Yennawar, H.P, Banerjee, S, Farber, G.K. | Deposit date: | 1993-08-20 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystal structure of gamma-chymotrypsin in hexane. Biochemistry, 33, 1994
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1GMD
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![BU of 1gmd by Molmil](/molmil-images/mine/1gmd) | X-ray crystal structure of gamma-chymotrypsin in hexane | Descriptor: | GAMMA-CHYMOTRYPSIN A, HEXANE, PRO GLY ALA TYR ASP PEPTIDE | Authors: | Yennawar, N.H, Yennawar, H.P, Banerjee, S, Farber, G.K. | Deposit date: | 1993-08-20 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystal structure of gamma-chymotrypsin in hexane. Biochemistry, 33, 1994
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4O34
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![BU of 4o34 by Molmil](/molmil-images/mine/4o34) | Room temperature macromolecular serial crystallography using synchrotron radiation | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Stellato, F, Oberthuer, D, Liang, M, Bean, R, Gati, C, Yefanov, O, Barty, A, Burkhardt, A, Fischer, P, Galli, L, Kirian, R.A, Mayer, J, Pannerselvam, S, Yoon, C.H, Chervinskii, F, Speller, E, White, T.A, Betzel, C, Meents, A, Chapman, H.N. | Deposit date: | 2013-12-18 | Release date: | 2014-06-11 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Room-temperature macromolecular serial crystallography using synchrotron radiation. IUCrJ, 1, 2014
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2B7E
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![BU of 2b7e by Molmil](/molmil-images/mine/2b7e) | First FF domain of Prp40 Yeast Protein | Descriptor: | Pre-mRNA processing protein PRP40 | Authors: | Gasch, A, Wiesner, S, Martin-Malpartida, P, Ramirez-Espain, X, Ruiz, L, Macias, M.J. | Deposit date: | 2005-10-04 | Release date: | 2005-11-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of Prp40 FF1 domain and its interaction with the crn-TPR1 motif of Clf1 gives a new insight into the binding mode of FF domains. J.Biol.Chem., 281, 2006
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1TK2
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![BU of 1tk2 by Molmil](/molmil-images/mine/1tk2) | Crystal Structure of the Complex formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution | Descriptor: | CALCIUM ION, GRAMICIDIN S, SUBTILISIN SAVINASE | Authors: | Bhatt, V.S, Kaur, P, Klupsch, S, Betzel, C, Brenner, S, Singh, T.P. | Deposit date: | 2004-06-08 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal Structure of the Complex Formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution. To be Published
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3CD2
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![BU of 3cd2 by Molmil](/molmil-images/mine/3cd2) | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S. | Deposit date: | 1999-03-16 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+. Biochemistry, 38, 1999
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1EKZ
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![BU of 1ekz by Molmil](/molmil-images/mine/1ekz) | NMR STRUCTURE OF THE COMPLEX BETWEEN THE THIRD DSRBD FROM DROSOPHILA STAUFEN AND A RNA HAIRPIN | Descriptor: | MATERNAL EFFECT PROTEIN (STAUFEN), STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN | Authors: | Ramos, A, Grunert, S, Bycroft, M, St Johnston, D, Varani, G. | Deposit date: | 2000-03-11 | Release date: | 2000-08-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | RNA recognition by a Staufen double-stranded RNA-binding domain. EMBO J., 19, 2000
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1C84
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![BU of 1c84 by Molmil](/molmil-images/mine/1c84) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXLIC ACID | Descriptor: | 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | Authors: | Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P. | Deposit date: | 2000-04-14 | Release date: | 2000-05-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases. J.Biol.Chem., 275, 2000
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1C85
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![BU of 1c85 by Molmil](/molmil-images/mine/1c85) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 2-(OXALYL-AMINO)-BENZOIC ACID | Descriptor: | 2-(OXALYL-AMINO)-BENZOIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | Authors: | Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P. | Deposit date: | 2000-04-16 | Release date: | 2000-05-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | 2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases. J.Biol.Chem., 275, 2000
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1C83
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![BU of 1c83 by Molmil](/molmil-images/mine/1c83) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | Descriptor: | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | Authors: | Andersen, H.S, Iversen, L.F, Branner, S, Rasmussen, H.B, Moller, N.P. | Deposit date: | 2000-04-14 | Release date: | 2000-05-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 2-(oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatases. J.Biol.Chem., 275, 2000
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1D5V
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![BU of 1d5v by Molmil](/molmil-images/mine/1d5v) | SOLUTION STRUCTURE OF THE FORKHEAD DOMAIN OF THE ADIPOCYTE-TRANSCRIPTION FACTOR FREAC-11 (S12) | Descriptor: | S12 TRANSCRIPTION FACTOR (FKH-14) | Authors: | van Dongen, M.J.P, Cederberg, A, Carlsson, P, Enerback, S, Wikstrom, M. | Deposit date: | 1999-10-12 | Release date: | 2000-10-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the DNA-binding domain of the adipocyte-transcription factor FREAC-11. J.Mol.Biol., 296, 2000
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