8HOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hog by Molmil](/molmil-images/mine/8hog) | Crystal structure of Bcl-2 in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
|
|
8HOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hoh by Molmil](/molmil-images/mine/8hoh) | Crystal structure of Bcl-2 G101V in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
|
|
8HOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hoi by Molmil](/molmil-images/mine/8hoi) | Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
|
|
4RFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rfr by Molmil](/molmil-images/mine/4rfr) | Complex structure of AlkB/rhein | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | Authors: | Li, Q, Huang, Y, Li, J.F, Yang, C.-G. | Deposit date: | 2014-09-27 | Release date: | 2016-04-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage. J.Biol.Chem., 291, 2016
|
|
6XCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xch by Molmil](/molmil-images/mine/6xch) | |
4P7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p7j by Molmil](/molmil-images/mine/4p7j) | Rat apo-COMT sulfate bound | Descriptor: | Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4P7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p7g by Molmil](/molmil-images/mine/4p7g) | Rat apo-COMT, phosphate bound | Descriptor: | Catechol O-methyltransferase, PHOSPHATE ION, POTASSIUM ION | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4P5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p5d by Molmil](/molmil-images/mine/4p5d) | CRYSTAL STRUCTURE OF RAT DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE | Descriptor: | 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine, SULFATE ION | Authors: | Padilla, A, Labesse, G, Kaminski, P.A. | Deposit date: | 2014-03-16 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | 6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: Synthesis, structural studies and cytotoxic activities. Eur.J.Med.Chem., 85C, 2014
|
|
4PHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4phu by Molmil](/molmil-images/mine/4phu) | Crystal structure of Human GPR40 bound to allosteric agonist TAK-875 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIMETHYL SULFOXIDE, Free fatty acid receptor 1,Lysozyme, ... | Authors: | Srivastava, A, Yano, J.K, Hirozane, Y, Kefala, G, Snell, G, Lane, W, Gruswitz, F, Ivetac, A, Aertgeerts, K, Nguyen, J, Jennings, A, Okada, K. | Deposit date: | 2014-05-07 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875. Nature, 513, 2014
|
|
4AFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4afg by Molmil](/molmil-images/mine/4afg) | Capitella teleta AChBP in complex with varenicline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CAPITELLA TELETA ACHBP, VARENICLINE, ... | Authors: | Brams, M, Ulens, C, Spurny, R. | Deposit date: | 2012-01-19 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Molecular Actions of Smoking Cessation Drugs at Alpha4Beta2 Nicotinic Receptors Defined in Crystal Structures of a Homologous Binding Protein. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4AFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4afh by Molmil](/molmil-images/mine/4afh) | Capitella teleta AChBP in complex with lobeline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACHBP, Alpha-Lobeline, ... | Authors: | Brams, M, Ulens, C, Spurny, R. | Deposit date: | 2012-01-19 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Molecular Actions of Smoking Cessation Drugs at Alpha4Beta2 Nicotinic Receptors Defined in Crystal Structures of a Homologous Binding Protein. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4AMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4amj by Molmil](/molmil-images/mine/4amj) | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist carvedilol | Descriptor: | (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ... | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | Deposit date: | 2012-03-12 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol Structure, 20, 2012
|
|
4AM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4am2 by Molmil](/molmil-images/mine/4am2) | Bacterioferritin from Blastochloris viridis | Descriptor: | BACTERIOFERRITIN, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wahlgren, W.Y, Omran, H, von Stetten, D, Royant, A, van der Post, S, Katona, G. | Deposit date: | 2012-03-07 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Characterization of Bacterioferritin from Blastochloris Viridis. Plos One, 7, 2012
|
|
4P7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p7f by Molmil](/molmil-images/mine/4p7f) | Mouse apo-COMT | Descriptor: | Catechol O-methyltransferase, HYDROGENPHOSPHATE ION, PHOSPHATE ION, ... | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4PYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pym by Molmil](/molmil-images/mine/4pym) | humanized rat apo-COMT bound to sulphate | Descriptor: | Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4AMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ami by Molmil](/molmil-images/mine/4ami) | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol | Descriptor: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10 | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | Deposit date: | 2012-03-11 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol Structure, 20, 2012
|
|
2F78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f78 by Molmil](/molmil-images/mine/2f78) | BenM effector binding domain with its effector benzoate | Descriptor: | BENZOIC ACID, HTH-type transcriptional regulator benM | Authors: | Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C. | Deposit date: | 2005-11-30 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator. J.Mol.Biol., 367, 2007
|
|
4AN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4an1 by Molmil](/molmil-images/mine/4an1) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-4 | Descriptor: | (2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide, GLYCEROL, PROLYL ENDOPEPTIDASE | Authors: | Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A. | Deposit date: | 2012-03-14 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Dynamics, Crystallography and Mutagenesis Studies on the Substrate Gating Mechanism of Prolyl Oligopeptidase. Biochimie, 94, 2012
|
|
4AM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4am4 by Molmil](/molmil-images/mine/4am4) | Bacterioferritin from Blastochloris viridis | Descriptor: | BACTERIOFERRITIN, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wahlgren, W.Y, Omran, H, von Stetten, D, Royant, A, van der Post, S, Katona, G. | Deposit date: | 2012-03-07 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Characterization of Bacterioferritin from Blastochloris Viridis. Plos One, 7, 2012
|
|
2F7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f7a by Molmil](/molmil-images/mine/2f7a) | BenM effector binding domain with its effector, cis,cis-muconate | Descriptor: | (2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID, ACETATE ION, BENZOIC ACID, ... | Authors: | Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C. | Deposit date: | 2005-11-30 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator. J.Mol.Biol., 367, 2007
|
|
3W79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w79 by Molmil](/molmil-images/mine/3w79) | Crystal Structure of azoreductase AzrC in complex with sulfone-modified azo dye Orange I | Descriptor: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | Authors: | Ogata, D, Yu, J, Ooi, T, Yao, M. | Deposit date: | 2013-02-27 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
|
|
2F6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f6g by Molmil](/molmil-images/mine/2f6g) | BenM effector binding domain | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator benM, SULFATE ION | Authors: | Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C. | Deposit date: | 2005-11-29 | Release date: | 2006-10-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.908 Å) | Cite: | Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator. J.Mol.Biol., 367, 2007
|
|
4AN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4an0 by Molmil](/molmil-images/mine/4an0) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-3 | Descriptor: | (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile, GLYCEROL, PROLYL ENDOPEPTIDASE | Authors: | Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A. | Deposit date: | 2012-03-14 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase. Biochimie, 94, 2012
|
|
4AMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4amy by Molmil](/molmil-images/mine/4amy) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-1 | Descriptor: | 1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one, GLYCEROL, PROLYL ENDOPEPTIDASE | Authors: | Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A. | Deposit date: | 2012-03-14 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Dynamics, Crystallography and Mutagenesis Studies on the Substrate Gating Mechanism of Prolyl Oligopeptidase. Biochimie, 94, 2012
|
|
4AM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4am5 by Molmil](/molmil-images/mine/4am5) | Bacterioferritin from Blastochloris viridis | Descriptor: | BACTERIOFERRITIN, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wahlgren, W.Y, Omran, H, von Stetten, D, Royant, A, van der Post, S, Katona, G. | Deposit date: | 2012-03-07 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Characterization of Bacterioferritin from Blastochloris Viridis. Plos One, 7, 2012
|
|