1PTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pts by Molmil](/molmil-images/mine/1pts) | |
1SRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1srj by Molmil](/molmil-images/mine/1srj) | |
1RSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rsm by Molmil](/molmil-images/mine/1rsm) | THE 2-ANGSTROMS RESOLUTION STRUCTURE OF A THERMOSTABLE RIBONUCLEASE A CHEMICALLY CROSS-LINKED BETWEEN LYSINE RESIDUES 7 AND 41 | Descriptor: | DINITROPHENYLENE, RIBONUCLEASE A | Authors: | Weber, P.C, Sheriff, S, Ohlendorf, D.H, Finzel, B.C, Salemme, F.R. | Deposit date: | 1985-08-27 | Release date: | 1986-01-21 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2-A resolution structure of a thermostable ribonuclease A chemically cross-linked between lysine residues 7 and 41. Proc.Natl.Acad.Sci.USA, 82, 1985
|
|
1SRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1srg by Molmil](/molmil-images/mine/1srg) | |
1SRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sri by Molmil](/molmil-images/mine/1sri) | |
1SRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1srf by Molmil](/molmil-images/mine/1srf) | |
1SRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1srh by Molmil](/molmil-images/mine/1srh) | |
1STP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1stp by Molmil](/molmil-images/mine/1stp) | |
1SRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sre by Molmil](/molmil-images/mine/1sre) | |
1LHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lhd by Molmil](/molmil-images/mine/1lhd) | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROLYS-OH | Descriptor: | AC-(D)PHE-PRO-BOROLYS-OH, ALPHA-THROMBIN, HIRUDIN | Authors: | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | Deposit date: | 1994-12-27 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
|
|
1LHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lhg by Molmil](/molmil-images/mine/1lhg) | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROORNITHINE-OH | Descriptor: | AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH, ALPHA-THROMBIN, HIRUDIN | Authors: | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | Deposit date: | 1994-12-27 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
|
|
1LHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lhe by Molmil](/molmil-images/mine/1lhe) | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH | Descriptor: | AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH, ALPHA-THROMBIN, HIRUDIN | Authors: | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | Deposit date: | 1994-12-27 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
|
|
1LHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lhf by Molmil](/molmil-images/mine/1lhf) | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH | Descriptor: | AC-(D)PHE-PRO-BOROHOMOLYS-OH, ALPHA-THROMBIN, HIRUDIN | Authors: | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | Deposit date: | 1994-12-27 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
|
|
1LHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lhc by Molmil](/molmil-images/mine/1lhc) | HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROARG-OH | Descriptor: | AC-(D)PHE-PRO-BOROARG-OH, ALPHA-THROMBIN, HIRUDIN | Authors: | Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A. | Deposit date: | 1994-12-27 | Release date: | 1996-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs. Biochemistry, 34, 1995
|
|
8I1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i1b by Molmil](/molmil-images/mine/8i1b) | |
2CCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ccy by Molmil](/molmil-images/mine/2ccy) | STRUCTURE OF FERRICYTOCHROME C(PRIME) FROM RHODOSPIRILLUM MOLISCHIANUM AT 1.67 ANGSTROMS RESOLUTION | Descriptor: | CYTOCHROME C, HEME C | Authors: | Finzel, B.C, Weber, P.C, Hardman, K.D, Salemme, F.R. | Deposit date: | 1985-08-27 | Release date: | 1986-01-21 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure of ferricytochrome c' from Rhodospirillum molischianum at 1.67 A resolution. J.Mol.Biol., 186, 1985
|
|
4P2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p2p by Molmil](/molmil-images/mine/4p2p) | AN INDEPENDENT CRYSTALLOGRAPHIC REFINEMENT OF PORCINE PHOSPHOLIPASE A2 AT 2.4 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Finzel, B.C, Ohlendorf, D.H, Weber, P.C, Salemme, F.R. | Deposit date: | 1991-10-22 | Release date: | 1992-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An independent crystallographic refinement of porcine phospholipase A2 at 2.4 A resolution Acta Crystallogr.,Sect.B, 47, 1991
|
|
4NOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nos by Molmil](/molmil-images/mine/4nos) | HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE WITH INHIBITOR | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, ... | Authors: | Fischmann, T.O, Weber, P.C. | Deposit date: | 1999-02-03 | Release date: | 2000-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation. Nat.Struct.Biol., 6, 1999
|
|
1QBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qbq by Molmil](/molmil-images/mine/1qbq) | STRUCTURE OF RAT FARNESYL PROTEIN TRANSFERASE COMPLEXED WITH A CVIM PEPTIDE AND ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID. | Descriptor: | ACETATE ION, ACETYL-CYS-VAL-ILE-SELENOMET-COOH PEPTIDE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, ... | Authors: | Strickland, C.L, Windsor, W.T, Syto, R, Wang, L, Bond, R, Wu, Z, Schwartz, J, Le, H.V, Beese, L.S, Weber, P.C. | Deposit date: | 1999-04-27 | Release date: | 1999-06-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of farnesyl protein transferase complexed with a CaaX peptide and farnesyl diphosphate analogue Biochemistry, 37, 1998
|
|
4BP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bp2 by Molmil](/molmil-images/mine/4bp2) | CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R. | Deposit date: | 1990-09-07 | Release date: | 1991-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution. Acta Crystallogr.,Sect.B, 47, 1991
|
|
1C2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c2p by Molmil](/molmil-images/mine/1c2p) | HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE | Descriptor: | RNA-DEPENDENT RNA POLYMERASE | Authors: | Lesburg, C.A, Cable, M.B, Ferrari, E, Hong, Z, Mannarino, A.F, Weber, P.C. | Deposit date: | 1999-07-26 | Release date: | 2000-04-05 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site. Nat.Struct.Biol., 6, 1999
|
|
1O5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o5m by Molmil](/molmil-images/mine/1o5m) | Structure of FPT bound to the inhibitor SCH66336 | Descriptor: | 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase alpha subunit, ... | Authors: | Strickland, C.L, Weber, P.C, Ganguly, A.K. | Deposit date: | 2003-09-26 | Release date: | 2003-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tricyclic Farnesyl Protein Transferase Inhibitors: Crystallographic and Calorimetric Studies of Structure-Activity Relationships J.Med.Chem., 42, 1999
|
|
3NOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nos by Molmil](/molmil-images/mine/3nos) | HUMAN ENDOTHELIAL NITRIC OXIDE SYNTHASE WITH ARGININE SUBSTRATE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ENDOTHELIAL NITRIC-OXIDE SYNTHASE, N-OMEGA-HYDROXY-L-ARGININE, ... | Authors: | Fischmann, T.O, Weber, P.C. | Deposit date: | 1999-02-03 | Release date: | 2000-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation. Nat.Struct.Biol., 6, 1999
|
|
2OC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oc7 by Molmil](/molmil-images/mine/2oc7) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
|
|
2OC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oc1 by Molmil](/molmil-images/mine/2oc1) | Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | Descriptor: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
|
|