1CXY
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![BU of 1cxy by Molmil](/molmil-images/mine/1cxy) | STRUCTURE AND CHARACTERIZATION OF ECTOTHIORHODOSPIRA VACUOLATA CYTOCHROME B558, A PROKARYOTIC HOMOLOGUE OF CYTOCHROME B5 | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kostanjevecki, V, Leys, D, Van Driessche, G, Meyer, T.E, Cusanovich, M.A, Fischer, U, Guisez, Y, Van Beeumen, J. | Deposit date: | 1999-08-31 | Release date: | 1999-09-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and characterization of Ectothiorhodospira vacuolata cytochrome b(558), a prokaryotic homologue of cytochrome b(5). J.Biol.Chem., 274, 1999
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3S85
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![BU of 3s85 by Molmil](/molmil-images/mine/3s85) | Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. | Descriptor: | Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A. | Deposit date: | 2011-05-27 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects. J.Med.Chem., 52, 2009
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1IN0
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![BU of 1in0 by Molmil](/molmil-images/mine/1in0) | |
2ZYS
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![BU of 2zys by Molmil](/molmil-images/mine/2zys) | A. Fulgidus lipase with fatty acid fragment and chloride | Descriptor: | CHLORIDE ION, Lipase, putative, ... | Authors: | Chen, C.K, Ko, T.P, Guo, R.T, Wang, A.H. | Deposit date: | 2009-01-29 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding. J.Mol.Biol., 390, 2009
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4LV4
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![BU of 4lv4 by Molmil](/molmil-images/mine/4lv4) | A noncompetitive inhibitor for M. tuberculosis's class IIa fructose 1,6-bisphosphate aldolase | Descriptor: | 8-hydroxyquinoline-2-carboxylic acid, ACETATE ION, Fructose-bisphosphate aldolase, ... | Authors: | Capodagli, G.C, Pegan, S.D. | Deposit date: | 2013-07-25 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A Noncompetitive Inhibitor for Mycobacterium tuberculosis's Class IIa Fructose 1,6-Bisphosphate Aldolase. Biochemistry, 53, 2014
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2ZYI
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![BU of 2zyi by Molmil](/molmil-images/mine/2zyi) | A. Fulgidus lipase with fatty acid fragment and calcium | Descriptor: | CALCIUM ION, Lipase, putative, ... | Authors: | Chen, C.K, Ko, T.P, Guo, R.T, Wang, A.H. | Deposit date: | 2009-01-22 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding. J.Mol.Biol., 390, 2009
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1F18
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![BU of 1f18 by Molmil](/molmil-images/mine/1f18) | Crystal structure of yeast copper-zinc superoxide dismutase mutant GLY85ARG | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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1F1A
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![BU of 1f1a by Molmil](/molmil-images/mine/1f1a) | Crystal structure of yeast H48Q cuznsod fals mutant analog | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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1F1D
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![BU of 1f1d by Molmil](/molmil-images/mine/1f1d) | Crystal structure of yeast H46C cuznsod mutant | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-18 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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2XVN
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![BU of 2xvn by Molmil](/molmil-images/mine/2xvn) | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | Descriptor: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | Authors: | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | Deposit date: | 2010-10-26 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor. Chem.Biol., 17, 2010
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1F1G
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![BU of 1f1g by Molmil](/molmil-images/mine/1f1g) | Crystal structure of yeast cuznsod exposed to nitric oxide | Descriptor: | COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, PHOSPHATE ION, ... | Authors: | Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D. | Deposit date: | 2000-05-18 | Release date: | 2002-12-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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2XNY
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![BU of 2xny by Molmil](/molmil-images/mine/2xny) | A fragment of streptococcal M1 protein in complex with human fibrinogen | Descriptor: | FIBRINOGEN ALPHA CHAIN, FIBRINOGEN BETA CHAIN, FIBRINOGEN GAMMA CHAIN, ... | Authors: | Macheboeuf, P, Y Fu, C, Zinkernagel, A.S, Johnson, J.E, Nizet, V, Ghosh, P. | Deposit date: | 2010-08-06 | Release date: | 2011-04-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (7.5 Å) | Cite: | Streptococcal M1 Protein Constructs a Pathological Host Fibrinogen Network Nature, 472, 2011
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3T3P
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![BU of 3t3p by Molmil](/molmil-images/mine/3t3p) | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhu, J, Zhu, J, Springer, T.A. | Deposit date: | 2011-07-25 | Release date: | 2012-03-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS Sci Transl Med, 4, 2012
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3SJ2
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![BU of 3sj2 by Molmil](/molmil-images/mine/3sj2) | A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome | Descriptor: | ACETATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*GP*GP*CP*GP*GP*CP*GP*GP*GP*UP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*CP*CP*GP*GP*CP*GP*GP*CP*GP*GP*GP*UP*CP*C)-3') | Authors: | Kumar, A, Pengfei, F, Park, H, Nettles, K, Guo, M, Disney, M.D. | Deposit date: | 2011-06-20 | Release date: | 2011-08-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome. Chembiochem, 12, 2011
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4KWN
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![BU of 4kwn by Molmil](/molmil-images/mine/4kwn) | A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from Momordica balsamina at 1.80 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, rRNA N-glycosidase | Authors: | Yamini, S, Pandey, S, Singh, A, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-24 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from Momordica balsamina at 1.80 A resolution To be Published
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1Y6A
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![BU of 1y6a by Molmil](/molmil-images/mine/1y6a) | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | Descriptor: | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2 | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | Deposit date: | 2004-12-05 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
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1EQC
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![BU of 1eqc by Molmil](/molmil-images/mine/1eqc) | EXO-B-(1,3)-GLUCANASE FROM CANDIDA ALBICANS IN COMPLEX WITH CASTANOSPERMINE AT 1.85 A | Descriptor: | CASTANOSPERMINE, EXO-(B)-(1,3)-GLUCANASE | Authors: | Cutfield, S.M, Davies, G.J, Murshudov, G, Anderson, B.F, Moody, P.C.E, Sullivan, P.A, Cutfield, J.F. | Deposit date: | 2000-04-03 | Release date: | 2000-10-03 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structure of the exo-beta-(1,3)-glucanase from Candida albicans in native and bound forms: relationship between a pocket and groove in family 5 glycosyl hydrolases. J.Mol.Biol., 294, 1999
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2P49
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![BU of 2p49 by Molmil](/molmil-images/mine/2p49) | Complex of a camelid single-domain vhh antibody fragment with RNASE A at 1.4A resolution: native mono_1 crystal form | Descriptor: | ANTIBODY CAB-RN05, PHOSPHATE ION, Ribonuclease pancreatic | Authors: | Tereshko, V, Uysal, S, Margalef, K, Koide, A, Kossiakoff, A.A, Koide, S. | Deposit date: | 2007-03-11 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Exploring the capacity of minimalist protein interfaces: interface energetics and affinity maturation to picomolar KD of a single-domain antibody with a flat paratope. J.Mol.Biol., 373, 2007
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1CQD
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![BU of 1cqd by Molmil](/molmil-images/mine/1cqd) | THE 2.1 ANGSTROM STRUCTURE OF A CYSTEINE PROTEASE WITH PROLINE SPECIFICITY FROM GINGER RHIZOME, ZINGIBER OFFICINALE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (PROTEASE II), ... | Authors: | Choi, K.H, Laursen, R.A, Allen, K.N. | Deposit date: | 1999-06-15 | Release date: | 1999-09-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 A structure of a cysteine protease with proline specificity from ginger rhizome, Zingiber officinale. Biochemistry, 38, 1999
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1Y6B
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![BU of 1y6b by Molmil](/molmil-images/mine/1y6b) | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | Descriptor: | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | Deposit date: | 2004-12-05 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J.Med.Chem., 48, 2005
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1G1N
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![BU of 1g1n by Molmil](/molmil-images/mine/1g1n) | NICKED DECAMER DNA WITH PEG6 TETHER, NMR, 30 STRUCTURES | Descriptor: | 5'-D(*GP*TP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*AP*CP*AP*AP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*TP*T)-3', ... | Authors: | Bocian, W, Kozerski, L, Mazurek, A.P, Kawecki, R. | Deposit date: | 2000-10-13 | Release date: | 2001-03-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A nicked duplex decamer DNA with a PEG(6) tether. Nucleic Acids Res., 29, 2001
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4M3M
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![BU of 4m3m by Molmil](/molmil-images/mine/4m3m) | |
3KCK
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![BU of 3kck by Molmil](/molmil-images/mine/3kck) | A Novel Chemotype of Kinase Inhibitors | Descriptor: | 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Wang, T, Ledeboer, M.W. | Deposit date: | 2009-10-21 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1HXW
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![BU of 1hxw by Molmil](/molmil-images/mine/1hxw) | HIV-1 PROTEASE DIMER COMPLEXED WITH A-84538 | Descriptor: | HIV-1 PROTEASE, RITONAVIR | Authors: | Park, C.H, Nienaber, V, Kong, X.P. | Deposit date: | 1997-01-24 | Release date: | 1998-02-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans. Proc.Natl.Acad.Sci.USA, 92, 1995
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2P4A
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![BU of 2p4a by Molmil](/molmil-images/mine/2p4a) | X-ray structure of a camelid affinity matured single-domain vhh antibody fragment in complex with RNASE A | Descriptor: | ANTIBODY CAB-RN05, Ribonuclease pancreatic, SULFATE ION | Authors: | Tereshko, V, Koide, A, Uysal, S, Koide, S. | Deposit date: | 2007-03-11 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring the capacity of minimalist protein interfaces: interface energetics and affinity maturation to picomolar KD of a single-domain antibody with a flat paratope. J.Mol.Biol., 373, 2007
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