3IKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ika by Molmil](/molmil-images/mine/3ika) | |
3GJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gjr by Molmil](/molmil-images/mine/3gjr) | Caspase-3 Binds Diverse P4 Residues in Peptides | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ... | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2009-03-09 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
|
|
3IMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3imr by Molmil](/molmil-images/mine/3imr) | Transthyretin in complex with (E)-2,6-dibromo-4-(2,6-dichlorostyryl)phenol | Descriptor: | 2,6-dibromo-4-[(E)-2-(2,6-dichlorophenyl)ethenyl]phenol, Transthyretin | Authors: | Connelly, S, Wilson, I.A. | Deposit date: | 2009-08-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc., 132, 2010
|
|
3ISU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3isu by Molmil](/molmil-images/mine/3isu) | Crystal structure of the RGC domain of IQGAP3 | Descriptor: | Ras GTPase-activating-like protein IQGAP3 | Authors: | Nedyalkova, L, Tempel, W, Tong, Y, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-27 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of the RGC domain of IQGAP3 to be published
|
|
3IW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iw6 by Molmil](/molmil-images/mine/3iw6) | Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | Descriptor: | Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
|
|
3I7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i7z by Molmil](/molmil-images/mine/3i7z) | Protein Tyrosine Phosphatase 1B - Transition state analog for the first catalytic step | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EGFR receptor fragment, GLYCEROL, ... | Authors: | Brandao, T.A.S, Johnson, S.J, Hengge, A.C. | Deposit date: | 2009-07-09 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps. J.Biol.Chem., 285, 2010
|
|
3GW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gw5 by Molmil](/molmil-images/mine/3gw5) | Crystal structure of human renin complexed with a novel inhibitor | Descriptor: | (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2009-03-31 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3GY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gy5 by Molmil](/molmil-images/mine/3gy5) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
|
|
3LPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lpb by Molmil](/molmil-images/mine/3lpb) | Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor | Descriptor: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. | Deposit date: | 2010-02-05 | Release date: | 2010-04-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
|
|
3H0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h0v by Molmil](/molmil-images/mine/3h0v) | Human AdoMetDC with 5'-Deoxy-5'-(dimethylsulfonio) adenosine | Descriptor: | 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine, PYRUVIC ACID, ... | Authors: | Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E. | Deposit date: | 2009-04-10 | Release date: | 2009-06-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase. Biochemistry, 48, 2009
|
|
3LD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ld6 by Molmil](/molmil-images/mine/3ld6) | Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ... | Authors: | Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-12 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles. J.Mol.Biol., 397, 2010
|
|
3GJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gjs by Molmil](/molmil-images/mine/3gjs) | Caspase-3 Binds Diverse P4 Residues in Peptides | Descriptor: | Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2009-03-09 | Release date: | 2009-03-24 | Last modified: | 2011-08-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling. Apoptosis, 14, 2009
|
|
3L5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l5x by Molmil](/molmil-images/mine/3l5x) | Crystal structure of the complex between IL-13 and H2L6 FAB | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, H2L6 HEAVY CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | Deposit date: | 2009-12-22 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human framework adaptation of a mouse anti-human IL-13 antibody. J.Mol.Biol., 398, 2010
|
|
3LP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lp7 by Molmil](/molmil-images/mine/3lp7) | |
3LQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lqc by Molmil](/molmil-images/mine/3lqc) | X-ray crystal structure of oxidized XRCC1 bound to DNA pol beta Palm thumb domain | Descriptor: | CARBONATE ION, DNA polymerase beta, DNA repair protein XRCC1, ... | Authors: | Cuneo, M.J, Krahn, J.M, London, R.E. | Deposit date: | 2010-02-09 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.349 Å) | Cite: | Oxidation state of the XRCC1 N-terminal domain regulates DNA polymerase beta binding affinity. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3L8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l8v by Molmil](/molmil-images/mine/3l8v) | |
3H8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h8b by Molmil](/molmil-images/mine/3h8b) | A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) | Descriptor: | Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide | Authors: | Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. | Deposit date: | 2009-04-29 | Release date: | 2009-10-20 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors J.Med.Chem., 52, 2009
|
|
3GY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gy3 by Molmil](/molmil-images/mine/3gy3) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
|
|
3KVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kvf by Molmil](/molmil-images/mine/3kvf) | |
3KVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kvq by Molmil](/molmil-images/mine/3kvq) | |
3KW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kw5 by Molmil](/molmil-images/mine/3kw5) | |
3KJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kjy by Molmil](/molmil-images/mine/3kjy) | Crystal structure of reduced HOMO SAPIENS CLIC3 | Descriptor: | Chloride intracellular channel protein 3, SULFATE ION | Authors: | Littler, D.R, Curmi, P.M.G, Breit, S.N, Perrakis, A. | Deposit date: | 2009-11-04 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of human CLIC3 at 2 A resolution Proteins, 78, 2010
|
|
3FM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fm6 by Molmil](/molmil-images/mine/3fm6) | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | Descriptor: | CALCIUM ION, FE (III) ION, GLYCEROL, ... | Authors: | Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. | Deposit date: | 2008-12-19 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates To be Published
|
|
3FMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fmu by Molmil](/molmil-images/mine/3fmu) | Crystal Structure Analysis of Fungal Versatile Peroxidase from Pleurotus eryngii | Descriptor: | CACODYLATE ION, CALCIUM ION, FE (III) ION, ... | Authors: | Piontek, K, Martinez, A.T, Choinowski, T, Plattner, D.A. | Deposit date: | 2008-12-22 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Structural and Site-directed Mutagenesis Study of Versatile Peroxidase Oxidizing both Mn(II) and Aromatic Substrates To be Published
|
|
3FOR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3for by Molmil](/molmil-images/mine/3for) | |