4MSK
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![BU of 4msk by Molmil](/molmil-images/mine/4msk) | Co-crystal structure of tankyrase 1 with compound 34 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-09-18 | Release date: | 2013-12-25 | Last modified: | 2014-02-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4MT9
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![BU of 4mt9 by Molmil](/molmil-images/mine/4mt9) | Co-crystal structure of tankyrase 1 with compound 49 | Descriptor: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-09-19 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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4MSG
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![BU of 4msg by Molmil](/molmil-images/mine/4msg) | Crystal structure of tankyrase 1 with compound 22 | Descriptor: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-09-18 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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5IG5
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![BU of 5ig5 by Molmil](/molmil-images/mine/5ig5) | |
5IG0
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![BU of 5ig0 by Molmil](/molmil-images/mine/5ig0) | Crystal structure of S. rosetta CaMKII hub | Descriptor: | CAMK/CAMK2 protein kinase, GLYCEROL, SULFATE ION | Authors: | Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J. | Deposit date: | 2016-02-26 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II. Elife, 5, 2016
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3GKQ
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![BU of 3gkq by Molmil](/molmil-images/mine/3gkq) | |
5IG1
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![BU of 5ig1 by Molmil](/molmil-images/mine/5ig1) | Crystal structure of S. rosetta CaMKII kinase domain | Descriptor: | CAMK/CAMK2 protein kinase, PHOSPHATE ION | Authors: | Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J. | Deposit date: | 2016-02-26 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II. Elife, 5, 2016
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5IG3
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![BU of 5ig3 by Molmil](/molmil-images/mine/5ig3) | Crystal structure of the human CaMKII-alpha hub | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha | Authors: | McSpadden, E, Cao, Y.M, Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J. | Deposit date: | 2016-02-26 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II. Elife, 5, 2016
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7PPG
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![BU of 7ppg by Molmil](/molmil-images/mine/7ppg) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9 | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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1DMJ
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![BU of 1dmj by Molmil](/molmil-images/mine/1dmj) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE | Descriptor: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ... | Authors: | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | Deposit date: | 1999-12-14 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin J.Biol.Chem., 276, 2001
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2X7A
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![BU of 2x7a by Molmil](/molmil-images/mine/2x7a) | Structural basis of HIV-1 tethering to membranes by the Bst2-tetherin ectodomain | Descriptor: | BONE MARROW STROMAL ANTIGEN 2, CHLORIDE ION, GLYCEROL, ... | Authors: | Natrajan, G, McCarthy, A.A, Weissenhorn, W. | Deposit date: | 2010-02-25 | Release date: | 2010-04-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural Basis of HIV-1 Tethering to Membranes by the Bst-2/Tetherin Ectodomain. Cell Host Microbe, 7, 2010
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7PPH
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![BU of 7pph by Molmil](/molmil-images/mine/7pph) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 | Descriptor: | GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPI
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![BU of 7ppi by Molmil](/molmil-images/mine/7ppi) | Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11 | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPE
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![BU of 7ppe by Molmil](/molmil-images/mine/7ppe) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1 | Descriptor: | GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPF
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![BU of 7ppf by Molmil](/molmil-images/mine/7ppf) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8 | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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5IG4
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![BU of 5ig4 by Molmil](/molmil-images/mine/5ig4) | Crystal structure of N. vectensis CaMKII-A hub | Descriptor: | GLYCEROL, Predicted protein | Authors: | Bhattacharyya, M, Pappireddi, N, Gee, C.L, Barros, T, Kuriyan, J. | Deposit date: | 2016-02-26 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II. Elife, 5, 2016
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5JFT
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![BU of 5jft by Molmil](/molmil-images/mine/5jft) | Zebra Fish Caspase-3 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish. Protein Sci., 25, 2016
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3GCE
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![BU of 3gce by Molmil](/molmil-images/mine/3gce) | Ferredoxin of carbazole 1,9a-dioxygenase from Nocardioides aromaticivorans IC177 | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of carbazole 1,9a-dioxygenase | Authors: | Inoue, K, Nojiri, H. | Deposit date: | 2009-02-22 | Release date: | 2009-09-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specific Interactions between the ferredoxin and terminal oxygenase components of a class IIB Rieske nonheme iron oxygenase, carbazole 1,9a-dioxygenase. J.Mol.Biol., 392, 2009
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3GCF
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![BU of 3gcf by Molmil](/molmil-images/mine/3gcf) | Terminal oxygenase of carbazole 1,9a-dioxygenase from Nocardioides aromaticivorans IC177 | Descriptor: | CHLORIDE ION, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Inoue, K, Nojiri, H. | Deposit date: | 2009-02-22 | Release date: | 2009-09-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Specific Interactions between the ferredoxin and terminal oxygenase components of a class IIB Rieske nonheme iron oxygenase, carbazole 1,9a-dioxygenase. J.Mol.Biol., 392, 2009
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1PLG
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![BU of 1plg by Molmil](/molmil-images/mine/1plg) | EVIDENCE FOR THE EXTENDED HELICAL NATURE OF POLYSACCHARIDE EPITOPES. THE 2.8 ANGSTROMS RESOLUTION STRUCTURE AND THERMODYNAMICS OF LIGAND BINDING OF AN ANTIGEN BINDING FRAGMENT SPECIFIC FOR ALPHA-(2->8)-POLYSIALIC ACID | Descriptor: | IGG2A=KAPPA= | Authors: | Evans, S.V, Sigurskjold, B.W, Jennings, H.J, Brisson, J.-R, Tse, W.C, To, R, Altman, E, Frosch, M, Weisgerber, C, Kratzin, H, Klebert, S, Vaesen, M, Bitter-Suermann, D, Rose, D.R, Young, N.M, Bundle, D.R. | Deposit date: | 1995-04-24 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Evidence for the extended helical nature of polysaccharide epitopes. The 2.8 A resolution structure and thermodynamics of ligand binding of an antigen binding fragment specific for alpha-(2-->8)-polysialic acid. Biochemistry, 34, 1995
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4NBG
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![BU of 4nbg by Molmil](/molmil-images/mine/4nbg) | Oxygenase with Gln282 replaced by Tyr and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBF
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![BU of 4nbf by Molmil](/molmil-images/mine/4nbf) | Oxygenase with Gln282 replaced by Asn and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBD
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![BU of 4nbd by Molmil](/molmil-images/mine/4nbd) | Carbazole-bound oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form2) | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NB9
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![BU of 4nb9 by Molmil](/molmil-images/mine/4nb9) | Oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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4NBB
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![BU of 4nbb by Molmil](/molmil-images/mine/4nbb) | Carbazole- and oxygen-bound oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase | Descriptor: | 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H. | Deposit date: | 2013-10-23 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase. Appl.Environ.Microbiol., 80, 2014
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