2OC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oc8 by Molmil](/molmil-images/mine/2oc8) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, 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.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, 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 (2.66 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
|
|
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
|
|
1CU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cu1 by Molmil](/molmil-images/mine/1cu1) | CRYSTAL STRUCTURE OF AN ENZYME COMPLEX FROM HEPATITIS C VIRUS | Descriptor: | PHOSPHATE ION, PROTEIN (PROTEASE/HELICASE NS3), ZINC ION | Authors: | Yao, N, Weber, P.C. | Deposit date: | 1999-08-20 | Release date: | 2000-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease-helicase. Structure Fold.Des., 7, 1999
|
|
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
|
|
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
|
|
2PCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pcd by Molmil](/molmil-images/mine/2pcd) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE FROM PSEUDOMONAS AERUGINOSA AT 2.15 ANGSTROMS RESOLUTION | Descriptor: | FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE (ALPHA CHAIN), PROTOCATECHUATE 3,4-DIOXYGENASE (BETA CHAIN) | Authors: | Ohlendorf, D.H, Orville, A.M, Lipscomb, J.D. | Deposit date: | 1994-06-21 | Release date: | 1994-12-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of protocatechuate 3,4-dioxygenase from Pseudomonas aeruginosa at 2.15 A resolution. J.Mol.Biol., 244, 1994
|
|
2BBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bbt by Molmil](/molmil-images/mine/2bbt) | Human deltaF508 NBD1 with two solublizing mutations. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Kearins, M.C, Conners, K, Zhao, X, Lu, F, Sauder, J.M, Emtage, S. | Deposit date: | 2005-10-17 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol., 396, 2010
|
|
2BBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bbo by Molmil](/molmil-images/mine/2bbo) | Human NBD1 with Phe508 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Kearins, M.C, Conners, K, Zhao, X, Lu, F, Sauder, J.M, Emtage, S. | Deposit date: | 2005-10-17 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol., 396, 2010
|
|
2BBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bbs by Molmil](/molmil-images/mine/2bbs) | Human deltaF508 NBD1 with three solubilizing mutations | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Lewis, H.A, Kearins, M.C, Conners, K, Zhao, X, Lu, F, Sauder, J.M, Emtage, S. | Deposit date: | 2005-10-17 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol., 396, 2010
|
|
1AUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1auj by Molmil](/molmil-images/mine/1auj) | BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR | Descriptor: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID, CALCIUM ION, TRYPSIN | Authors: | Alexander, R, Smallwood, A, Kettner, C. | Deposit date: | 1997-08-28 | Release date: | 1998-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New inhibitors of thrombin and other trypsin-like proteases: hydrogen bonding of an aromatic cyano group with a backbone amide of the P1 binding site replaces binding of a basic side chain. Biochemistry, 36, 1997
|
|
1HEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hei by Molmil](/molmil-images/mine/1hei) | |
5I1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i1b by Molmil](/molmil-images/mine/5i1b) | |
1CGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cgo by Molmil](/molmil-images/mine/1cgo) | CYTOCHROME C' | Descriptor: | CYTOCHROME C, HEME C | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | Deposit date: | 1995-05-01 | Release date: | 1995-07-31 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures. Acta Crystallogr.,Sect.D, 52, 1996
|
|
1CGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cgn by Molmil](/molmil-images/mine/1cgn) | CYTOCHROME C' | Descriptor: | CYTOCHROME C, HEME C | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | Deposit date: | 1995-05-01 | Release date: | 1995-07-31 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures. Acta Crystallogr.,Sect.D, 52, 1996
|
|
3PCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pcg by Molmil](/molmil-images/mine/3pcg) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH THE INHIBITOR 4-HYDROXYPHENYLACETATE | Descriptor: | 4-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
|
|
3PCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pcc by Molmil](/molmil-images/mine/3pcc) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 4-HYDROXYBENZOATE | Descriptor: | BETA-MERCAPTOETHANOL, FE (III) ION, P-HYDROXYBENZOIC ACID, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
|
|
3PCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pce by Molmil](/molmil-images/mine/3pce) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYPHENYLACETATE | Descriptor: | 3-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
|
|
3PCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pcb by Molmil](/molmil-images/mine/3pcb) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYBENZOATE | Descriptor: | 3-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-25 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
|
|
2FDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fdk by Molmil](/molmil-images/mine/2fdk) | Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 9 days) | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-14 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
|
|
2FDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fdh by Molmil](/molmil-images/mine/2fdh) | Crystal Structure of AlkB in complex with Mn(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-14 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
|
|
2FD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fd8 by Molmil](/molmil-images/mine/2fd8) | Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
|
|
2FDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fdg by Molmil](/molmil-images/mine/2fdg) | Crystal Structure of AlkB in complex with Fe(II), succinate, and methylated trinucleotide T-meA-T | Descriptor: | 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, FE (II) ION, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
|
|
2FDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fdi by Molmil](/molmil-images/mine/2fdi) | Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 3 hours) | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-14 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
|
|
2FDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fdj by Molmil](/molmil-images/mine/2fdj) | Crystal Structure of AlkB in complex with Fe(II) and succinate | Descriptor: | Alkylated DNA repair protein alkB, FE (II) ION, SUCCINIC ACID | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-14 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
|
|
2FDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fdf by Molmil](/molmil-images/mine/2fdf) | Crystal Structure of AlkB in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
|
|