2EWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ewg by Molmil](/molmil-images/mine/2ewg) | T. brucei Farnesyl Diphosphate Synthase Complexed with Minodronate | Descriptor: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), MAGNESIUM ION, S-1,2-PROPANEDIOL, ... | Authors: | Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E. | Deposit date: | 2005-11-03 | Release date: | 2006-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes. J.Am.Chem.Soc., 128, 2006
|
|
2I19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i19 by Molmil](/molmil-images/mine/2i19) | T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | Authors: | Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E. | Deposit date: | 2006-08-13 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes. J.Am.Chem.Soc., 128, 2006
|
|
7RK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rk2 by Molmil](/molmil-images/mine/7rk2) | Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 2D9, an astrovirus-neutralizing antibody, at 2.65-A resolution | Descriptor: | Capsid protein VP25, scFv 2D9 | Authors: | Meyer, L, Cuellar, C, DuBois, R.M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells. J.Virol., 96, 2022
|
|
7RK1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rk1 by Molmil](/molmil-images/mine/7rk1) | |
3DYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dyf by Molmil](/molmil-images/mine/3dyf) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 and Isopentyl Diphosphate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
|
|
3DYG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dyg by Molmil](/molmil-images/mine/3dyg) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, ACETATE ION, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
|
|
3DYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dyh by Molmil](/molmil-images/mine/3dyh) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721 | Descriptor: | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2008-07-27 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
|
|
3EGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3egt by Molmil](/molmil-images/mine/3egt) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-722 | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | Deposit date: | 2008-09-11 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
|
|
3EFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3efq by Molmil](/molmil-images/mine/3efq) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714 | Descriptor: | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Cao, R, Gao, Y, Robinson, H, Oldfield, E. | Deposit date: | 2008-09-09 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
|
|
2OGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ogd by Molmil](/molmil-images/mine/2ogd) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | Deposit date: | 2007-01-05 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bisphosphonates: Teaching Old Drugs with New Tricks TO BE PUBLISHED
|
|
4QL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ql8 by Molmil](/molmil-images/mine/4ql8) | Crystal structure of Androgen Receptor in complex with the ligand | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | Deposit date: | 2014-06-11 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration J.Med.Chem., 57, 2014
|
|
4JYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jyt by Molmil](/molmil-images/mine/4jyt) | Crystal Structure of Matriptase in complex with Inhibitor | Descriptor: | 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | Deposit date: | 2013-04-01 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
|
|
4JZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jz1 by Molmil](/molmil-images/mine/4jz1) | Crystal Structure of Matriptase in complex with Inhibitor | Descriptor: | 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | Deposit date: | 2013-04-02 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
|
|
4JZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jzi by Molmil](/molmil-images/mine/4jzi) | Crystal Structure of Matriptase in complex with Inhibitor". | Descriptor: | N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein | Authors: | Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | Deposit date: | 2013-04-03 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors ACS MED.CHEM.LETT., 4, 2013
|
|
3M1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3m1l by Molmil](/molmil-images/mine/3m1l) | Crystal structure of a C-terminal trunacted mutant of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 2.5 Angstrom resolution | Descriptor: | 3-oxoacyl-(Acyl-carrier-protein) reductase, ACETATE ION | Authors: | Dutta, D, Bhattacharyya, S, Saha, B, Das, A.K. | Deposit date: | 2010-03-05 | Release date: | 2010-12-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structure of FabG4 from Mycobacterium tuberculosis reveals the importance of C-terminal residues in ketoreductase activity J.Struct.Biol., 174, 2011
|
|
4O9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o9v by Molmil](/molmil-images/mine/4o9v) | Crystal structure of matriptase in complex with inhibitor | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | Deposit date: | 2014-01-03 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
|
|
4O97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o97 by Molmil](/molmil-images/mine/4o97) | Crystal structure of matriptase in complex with inhibitor | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | Deposit date: | 2014-01-02 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
|
|
4R0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r0i by Molmil](/molmil-images/mine/4r0i) | CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR | Descriptor: | 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ... | Authors: | Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H. | Deposit date: | 2014-07-31 | Release date: | 2015-02-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach Bioorg.Med.Chem.Lett., 25, 2015
|
|
8DRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dro by Molmil](/molmil-images/mine/8dro) | LRRC8A:C conformation 1 (round) LRR focus 2 | Descriptor: | Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562 | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-07-21 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.06 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
|
|
8DS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ds9 by Molmil](/molmil-images/mine/8ds9) | LRRC8A:C in MSPE3D1 nanodisc top focus | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-07-21 | Release date: | 2023-03-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
|
|
8DRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dra by Molmil](/molmil-images/mine/8dra) | LRRC8A:C conformation 2 (oblong) LRR mask | Descriptor: | Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-07-20 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
|
|
8DR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dr8 by Molmil](/molmil-images/mine/8dr8) | LRRC8A:C conformation 2 (oblong) top mask | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-07-20 | Release date: | 2023-03-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
|
|
8DRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dre by Molmil](/molmil-images/mine/8dre) | LRRC8A:C conformation 2 (oblong) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-07-20 | Release date: | 2023-03-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
|
|
8DRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8drk by Molmil](/molmil-images/mine/8drk) | LRRC8A:C conformation 1 (round) top focus | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-07-21 | Release date: | 2023-03-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
|
|
8DS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ds3 by Molmil](/molmil-images/mine/8ds3) | LRRC8A:C conformation 1 (round) | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | Authors: | Kern, D.M, Brohawn, S.G. | Deposit date: | 2022-07-21 | Release date: | 2023-03-08 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels. Nat.Struct.Mol.Biol., 30, 2023
|
|