5ADE
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![BU of 5ade by Molmil](/molmil-images/mine/5ade) | Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl) phenoxy)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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3KDF
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![BU of 3kdf by Molmil](/molmil-images/mine/3kdf) | X-ray Crystal Structure of the Human Replication Protein A Complex from Wheat Germ Cell Free Expression | Descriptor: | 1,2-ETHANEDIOL, Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | Authors: | Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Fox, B.G, Makino, S.-I, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2009-10-22 | Release date: | 2009-12-01 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | X-ray Crystal Structure of the Human Replication Protein A Complex from Wheat Germ Cell Free Expression To be Published
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1PDH
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3KWJ
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![BU of 3kwj by Molmil](/molmil-images/mine/3kwj) | Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine | Descriptor: | (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form | Authors: | Hennig, M, Stihle, M, Thoma, R. | Deposit date: | 2009-12-01 | Release date: | 2010-09-15 | Last modified: | 2020-09-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5B0O
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![BU of 5b0o by Molmil](/molmil-images/mine/5b0o) | Structure of the FliH-FliI complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Flagellar assembly protein FliH, Flagellum-specific ATP synthase | Authors: | Imada, K, Uchida, Y, Kinoshita, M, Namba, K, Minamino, T. | Deposit date: | 2015-11-02 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insight into the flagella type III export revealed by the complex structure of the type III ATPase and its regulator Proc.Natl.Acad.Sci.USA, 113, 2016
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4MW5
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![BU of 4mw5 by Molmil](/molmil-images/mine/4mw5) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415) | Descriptor: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.347 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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2YFL
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5BQX
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![BU of 5bqx by Molmil](/molmil-images/mine/5bqx) | Crystal structure of human STING in complex with 3'2'-cGAMP | Descriptor: | 3'2'-cGAMP, Stimulator of interferon genes protein | Authors: | Wu, J, Zhang, X, Chen, Z.J, Chen, C. | Deposit date: | 2015-05-29 | Release date: | 2015-06-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the specific recognition of the metazoan cyclic GMP-AMP by the innate immune adaptor protein STING. Proc.Natl.Acad.Sci.USA, 112, 2015
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1P3T
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![BU of 1p3t by Molmil](/molmil-images/mine/1p3t) | Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Friedman, J, Lad, L, Deshmukh, R, Li, H, Wilks, A, Poulos, T.L. | Deposit date: | 2003-04-18 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation J.Biol.Chem., 278, 2003
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1P3V
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![BU of 1p3v by Molmil](/molmil-images/mine/1p3v) | Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation | Descriptor: | CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Friedman, J, Lad, L, Deshmukh, R, Li, H, Wilks, A, Poulos, T.L. | Deposit date: | 2003-04-18 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation J.Biol.Chem., 278, 2003
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1OZ1
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![BU of 1oz1 by Molmil](/molmil-images/mine/1oz1) | P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | Descriptor: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14 | Authors: | Lovejoy, B, Villasenor, A, Browner, M, Dunten, P. | Deposit date: | 2003-04-07 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase. J.Med.Chem., 46, 2003
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1OZR
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![BU of 1ozr by Molmil](/molmil-images/mine/1ozr) | Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2003-04-09 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications J.Mol.Biol., 330, 2003
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1ONC
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![BU of 1onc by Molmil](/molmil-images/mine/1onc) | THE REFINED 1.7 ANGSTROMS X-RAY CRYSTALLOGRAPHIC STRUCTURE OF P-30, AN AMPHIBIAN RIBONUCLEASE WITH ANTI-TUMOR ACTIVITY | Descriptor: | P-30 PROTEIN, SULFATE ION | Authors: | Mosimann, S.C, Ardelt, W, James, M.N.G. | Deposit date: | 1993-08-30 | Release date: | 1994-01-31 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Refined 1.7 A X-ray crystallographic structure of P-30 protein, an amphibian ribonuclease with anti-tumor activity. J.Mol.Biol., 236, 1994
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3BG7
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1PO2
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![BU of 1po2 by Molmil](/molmil-images/mine/1po2) | POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R77975, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | Deposit date: | 1997-01-08 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes. Acta Crystallogr.,Sect.D, 53, 1997
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1PXX
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![BU of 1pxx by Molmil](/molmil-images/mine/1pxx) | CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G. | Deposit date: | 2003-07-07 | Release date: | 2003-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385. J.Biol.Chem., 278, 2003
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4OTG
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![BU of 4otg by Molmil](/molmil-images/mine/4otg) | Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib | Descriptor: | Lestaurtinib, Serine/threonine-protein kinase N1 | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | Deposit date: | 2014-02-13 | Release date: | 2014-08-27 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes. Plos One, 9, 2014
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2ZAZ
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![BU of 2zaz by Molmil](/molmil-images/mine/2zaz) | Crystal structure of P38 in complex with 4-anilino quinoline inhibitor | Descriptor: | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ... | Authors: | Somers, D.O. | Deposit date: | 2007-10-12 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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3W3J
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![BU of 3w3j by Molmil](/molmil-images/mine/3w3j) | Crystal structure of human TLR8 in complex with CL097 | Descriptor: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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2ZR1
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![BU of 2zr1 by Molmil](/molmil-images/mine/2zr1) | Agglutinin from Abrus Precatorius | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Agglutinin-1 chain A, Agglutinin-1 chain B | Authors: | Cheng, J, Lu, T.H, Liu, C.L, Lin, J.Y. | Deposit date: | 2008-08-22 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A biophysical elucidation for less toxicity of Agglutinin than Abrin-a from the Seeds of Abrus Precatorius in consequence of crystal structure J.Biomed.Sci., 17, 2010
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4OKN
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![BU of 4okn by Molmil](/molmil-images/mine/4okn) | Crystal structure of human muscle L-lactate dehydrogenase, ternary complex with NADH and oxalate | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, KANAMYCIN A, L-lactate dehydrogenase A chain, ... | Authors: | Kolappan, S, Craig, L. | Deposit date: | 2014-01-22 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
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4QKB
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![BU of 4qkb by Molmil](/molmil-images/mine/4qkb) | Crystal structure of seleno-methionine labelled human ALKBH7 in complex with alpha-ketoglutarate and Mn(II) | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 7, mitochondrial, ... | Authors: | Wang, G, He, Q, Chen, Z. | Deposit date: | 2014-06-05 | Release date: | 2014-08-20 | Last modified: | 2015-10-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The atomic resolution structure of human AlkB homolog 7 (ALKBH7), a key protein for programmed necrosis and fat metabolism J.Biol.Chem., 289, 2014
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4QL6
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![BU of 4ql6 by Molmil](/molmil-images/mine/4ql6) | Structure of C. trachomatis CT441 | Descriptor: | Carboxy-terminal processing protease | Authors: | Kohlmann, F, Hilgenfeld, R, Hansen, G. | Deposit date: | 2014-06-10 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural basis of the proteolytic and chaperone activity of Chlamydia trachomatis CT441 J.Bacteriol., 197, 2015
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2ZUJ
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![BU of 2zuj by Molmil](/molmil-images/mine/2zuj) | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant(D297L) | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T. | Deposit date: | 2008-10-18 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant to be published
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4QXC
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![BU of 4qxc by Molmil](/molmil-images/mine/4qxc) | |