6XSW
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![BU of 6xsw by Molmil](/molmil-images/mine/6xsw) | Structure of the Notch3 NRR in complex with an antibody Fab Fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-N3 Fab Heavy Chain, ... | Authors: | Bard, J. | Deposit date: | 2020-07-16 | Release date: | 2021-07-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells. Cell Rep Med, 2, 2021
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1FA0
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![BU of 1fa0 by Molmil](/molmil-images/mine/1fa0) | STRUCTURE OF YEAST POLY(A) POLYMERASE BOUND TO MANGANATE AND 3'-DATP | Descriptor: | 3'-DEOXYADENOSINE, 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Bard, J, Zhelkovsky, A.M, Helmling, S, Moore, C.L, Bohm, A. | Deposit date: | 2000-07-11 | Release date: | 2000-08-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of yeast poly(A) polymerase alone and in complex with 3'-dATP. Science, 289, 2000
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3IBE
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![BU of 3ibe by Molmil](/molmil-images/mine/3ibe) | Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma | Descriptor: | 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Bard, J, Svenson, K. | Deposit date: | 2009-07-15 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines. J.Med.Chem., 52, 2009
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3H6K
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![BU of 3h6k by Molmil](/molmil-images/mine/3h6k) | |
3HFG
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![BU of 3hfg by Molmil](/molmil-images/mine/3hfg) | |
3LJ3
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![BU of 3lj3 by Molmil](/molmil-images/mine/3lj3) | PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor | Descriptor: | (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Bard, J, Svenson, K. | Deposit date: | 2010-01-25 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR). Bioorg.Med.Chem.Lett., 20, 2010
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3MJW
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![BU of 3mjw by Molmil](/molmil-images/mine/3mjw) | PI3 Kinase gamma with a benzofuranone inhibitor | Descriptor: | (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Bard, J, Svenson, K. | Deposit date: | 2010-04-13 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | 5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. Bioorg.Med.Chem.Lett., 20, 2010
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2GC8
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![BU of 2gc8 by Molmil](/molmil-images/mine/2gc8) | Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase | Descriptor: | 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase | Authors: | Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S. | Deposit date: | 2006-03-13 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site. J.Med.Chem., 49, 2006
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5CBE
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![BU of 5cbe by Molmil](/molmil-images/mine/5cbe) | E10 in complex with CXCL13 | Descriptor: | 1,2-ETHANEDIOL, C-X-C motif chemokine 13, E10 heavy chain, ... | Authors: | Tu, C, Bard, J, Mosyak, L. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv). J. Biol. Chem., 291, 2016
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5CBA
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![BU of 5cba by Molmil](/molmil-images/mine/5cba) | 3B4 in complex with CXCL13 - 3B4-CXCL13 | Descriptor: | 1,2-ETHANEDIOL, 3b4 heavy chain, 3b4 light chain, ... | Authors: | Tu, C, Bard, J, Mosyak, L. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv). J. Biol. Chem., 291, 2016
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4FUL
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![BU of 4ful by Molmil](/molmil-images/mine/4ful) | PI3 Kinase Gamma bound to a pyrmidine inhibitor | Descriptor: | 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K. | Deposit date: | 2012-06-28 | Release date: | 2012-10-17 | Last modified: | 2012-10-31 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification of pyrimidine derivatives as hSMG-1 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4GLR
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![BU of 4glr by Molmil](/molmil-images/mine/4glr) | Structure of the anti-ptau Fab (pT231/pS235_1) in complex with phosphoepitope pT231/pS235 | Descriptor: | PHOSPHATE ION, anti-ptau heavy chain, anti-ptau light chain, ... | Authors: | Tu, C, Mosyak, L, Bard, J. | Deposit date: | 2012-08-14 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition. J.Biol.Chem., 287, 2012
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1T0R
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![BU of 1t0r by Molmil](/molmil-images/mine/1t0r) | Crystal Structure of the Toluene/o-xylene Monooxygenase Hydroxuylase from Pseudomonas stutzeri-azide bound | Descriptor: | AZIDE ION, FE (III) ION, HYDROXIDE ION, ... | Authors: | Sazinsky, M.H, Bard, J, Di Donato, A, Lippard, S.J. | Deposit date: | 2004-04-12 | Release date: | 2004-07-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase from Pseudomonas stutzeri OX1: INSIGHT INTO THE SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND ACTIVE SITE TUNING OF MULTICOMPONENT MONOOXYGENASES. J.Biol.Chem., 279, 2004
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1T0S
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![BU of 1t0s by Molmil](/molmil-images/mine/1t0s) | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase with 4-bromophenol bound | Descriptor: | 4-BROMOPHENOL, FE (III) ION, HYDROXIDE ION, ... | Authors: | Sazinsky, M.H, Bard, J, Di Donato, A, Lippard, S.J. | Deposit date: | 2004-04-12 | Release date: | 2004-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase from Pseudomonas stutzeri OX1: INSIGHT INTO THE SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND ACTIVE SITE TUNING OF MULTICOMPONENT MONOOXYGENASES. J.Biol.Chem., 279, 2004
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1T0Q
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![BU of 1t0q by Molmil](/molmil-images/mine/1t0q) | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase | Descriptor: | FE (III) ION, HYDROXIDE ION, SULFANYLACETIC ACID, ... | Authors: | Sazinsky, M.H, Bard, J, Di Donato, A, Lippard, S.J. | Deposit date: | 2004-04-12 | Release date: | 2004-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase from Pseudomonas stutzeri OX1: INSIGHT INTO THE SUBSTRATE SPECIFICITY, SUBSTRATE CHANNELING, AND ACTIVE SITE TUNING OF MULTICOMPONENT MONOOXYGENASES. J.Biol.Chem., 279, 2004
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5C6W
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![BU of 5c6w by Molmil](/molmil-images/mine/5c6w) | anti-CXCL13 scFv - E10 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tu, C, Bard, J, Mosyak, L. | Deposit date: | 2015-06-23 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Optimization of a scFv-based biotherapeutic by CDR side-chain clash repair To Be Published
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5C2B
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![BU of 5c2b by Molmil](/molmil-images/mine/5c2b) | anti-CXCL13 parental scFv - 3B4 | Descriptor: | CHLORIDE ION, scFv 3B4 | Authors: | Tu, C, Bard, J, Mosyak, L. | Deposit date: | 2015-06-15 | Release date: | 2015-11-04 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.4049 Å) | Cite: | Optimization of a scFv-based biotherapeutic by CDR side-chain clash repair To Be Published
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1IKO
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![BU of 1iko by Molmil](/molmil-images/mine/1iko) | CRYSTAL STRUCTURE OF THE MURINE EPHRIN-B2 ECTODOMAIN | Descriptor: | EPHRIN-B2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Toth, J, Cutforth, T, Gelinas, A.D, Bethoney, K.A, Bard, J, Harrison, C.J. | Deposit date: | 2001-05-03 | Release date: | 2002-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of an ephrin ectodomain. Dev.Cell, 1, 2001
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2Q85
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![BU of 2q85 by Molmil](/molmil-images/mine/2q85) | |
1K90
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![BU of 1k90 by Molmil](/molmil-images/mine/1k90) | Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 3' deoxy-ATP | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CALMODULIN, ... | Authors: | Drum, C.L, Yan, S.-Z, Bard, J, Shen, Y.-Q, Lu, D, Soelaiman, S, Grabarek, Z, Bohm, A, Tang, W.-J. | Deposit date: | 2001-10-26 | Release date: | 2002-01-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin. Nature, 415, 2002
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1KAQ
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![BU of 1kaq by Molmil](/molmil-images/mine/1kaq) | Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase | Descriptor: | NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINIC ACID ADENINE DINUCLEOTIDE | Authors: | Olland, A.M, Underwood, K.W, Czerwinski, R.M, Lo, M.C, Aulabaugh, A, Bard, J, Stahl, M.L, Somers, W.S, Sullivan, F.X, Chopra, R. | Deposit date: | 2001-11-02 | Release date: | 2002-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase. J.Biol.Chem., 277, 2002
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1K8T
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![BU of 1k8t by Molmil](/molmil-images/mine/1k8t) | Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) | Descriptor: | CALMODULIN-SENSITIVE ADENYLATE CYCLASE, NICKEL (II) ION, SULFATE ION | Authors: | Drum, C.L, Yan, S.-Z, Bard, J, Shen, Y.-Q, Lu, D, Soelaiman, S, Grabarek, Z, Bohm, A, Tang, W.-J. | Deposit date: | 2001-10-25 | Release date: | 2002-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin Nature, 415, 2002
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1K93
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![BU of 1k93 by Molmil](/molmil-images/mine/1k93) | Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin | Descriptor: | CALCIUM ION, CALMODULIN, CALMODULIN-SENSITIVE ADENYLATE CYCLASE, ... | Authors: | Drum, C.L, Yan, S.-Z, Bard, J, Shen, Y.-Q, Lu, D, Soelaiman, S, Grabarek, Z, Bohm, A, Tang, W.-J. | Deposit date: | 2001-10-26 | Release date: | 2002-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin. Nature, 415, 2002
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1KAM
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![BU of 1kam by Molmil](/molmil-images/mine/1kam) | Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase | Descriptor: | NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE | Authors: | Olland, A.M, Underwood, K.W, Czerwinski, R.M, Lo, M.C, Aulabaugh, A, Bard, J, Stahl, M.L, Somers, W.S, Sullivan, F.X, Chopra, R. | Deposit date: | 2001-11-02 | Release date: | 2002-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification, characterization, and crystal structure of Bacillus subtilis nicotinic acid mononucleotide adenylyltransferase. J.Biol.Chem., 277, 2002
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2QE5
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![BU of 2qe5 by Molmil](/molmil-images/mine/2qe5) | |