1TJF
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![BU of 1tjf by Molmil](/molmil-images/mine/1tjf) | The crystal structure of the N-terminal domain of CAP indicates variable oligomerisation | Descriptor: | Adenylyl cyclase-associated protein, SULFATE ION | Authors: | Mohd Yusof, A, Hu, N.J, Wlodawer, A, Hofmann, A. | Deposit date: | 2004-06-04 | Release date: | 2005-02-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural evidence for variable oligomerization of the N-terminal domain of cyclase-associated protein (CAP). Proteins, 58, 2005
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1TK0
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![BU of 1tk0 by Molmil](/molmil-images/mine/1tk0) | T7 DNA polymerase ternary complex with 8 oxo guanosine and ddCTP at the insertion site | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*CP*CP*CP*(8OG)P*CP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', ... | Authors: | Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T. | Deposit date: | 2004-06-07 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase. Embo J., 23, 2004
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6W8Y
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![BU of 6w8y by Molmil](/molmil-images/mine/6w8y) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-21 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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3EL1
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![BU of 3el1 by Molmil](/molmil-images/mine/3el1) | Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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2IPI
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![BU of 2ipi by Molmil](/molmil-images/mine/2ipi) | Crystal Structure of Aclacinomycin Oxidoreductase | Descriptor: | Aclacinomycin oxidoreductase (AknOx), FLAVIN-ADENINE DINUCLEOTIDE, METHYL (2S,4R)-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-4-O-{2,6-DIDEOXY-4-O-[(2S,6S)-6-METHYL-5-OXOTETRAHYDRO-2H-PYRAN-2-YL]-ALPHA-D-LYXO-HEXOPYRANOSYL}-3-(DIMETHYLAMINO)-D-RIBO-HEXOPYRANOSYL]OXY}-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE | Authors: | Sultana, A, Kursula, I, Schneider, G, Alexeev, I, Niemi, J, Mantsala, P. | Deposit date: | 2006-10-12 | Release date: | 2007-01-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure determination by multiwavelength anomalous diffraction of aclacinomycin oxidoreductase: indications of multidomain pseudomerohedral twinning. Acta Crystallogr.,Sect.D, 63, 2007
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2IRX
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3ZMI
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![BU of 3zmi by Molmil](/molmil-images/mine/3zmi) | Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 | Descriptor: | RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | Authors: | Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M. | Deposit date: | 2013-02-11 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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1JNH
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![BU of 1jnh by Molmil](/molmil-images/mine/1jnh) | Crystal Structure of Fab-Estradiol Complexes | Descriptor: | ESTRADIOL-6 CARBOXYL-METHYL-OXIME, monoclonal anti-estradiol 10G6D6 Fab heavy chain, monoclonal anti-estradiol 10G6D6 Fab light chain | Authors: | Monnet, C, Bettsworth, F, Stura, E.A, Le Du, M.-H, Menez, R, Derrien, L, Zinn-Justin, S, Gilquin, B, Sibai, G, Battail-Poirot, N, Jolivet, M, Menez, A, Arnaud, M, Ducancel, F, Charbonnier, J.B. | Deposit date: | 2001-07-24 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Highly specific anti-estradiol antibodies: structural characterisation and binding diversity. J.Mol.Biol., 315, 2002
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6I4O
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1TKR
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![BU of 1tkr by Molmil](/molmil-images/mine/1tkr) | Human Dipeptidyl Peptidase IV/CD26 inhibited with Diisopropyl FluoroPhosphate | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bjelke, J.R, Christensen, J, Branner, S, Wagtmann, N, Olsen, C, Kanstrup, A.B, Rasmussen, H.B. | Deposit date: | 2004-06-09 | Release date: | 2004-07-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Tyrosine 547 Constitutes an Essential Part of the Catalytic Mechanism of Dipeptidyl Peptidase IV J.Biol.Chem., 279, 2004
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7AN5
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![BU of 7an5 by Molmil](/molmil-images/mine/7an5) | Enzyme of biosynthetic pathway | Descriptor: | 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | Deposit date: | 2020-10-11 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis J.Biol.Chem., 2022
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1TLJ
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![BU of 1tlj by Molmil](/molmil-images/mine/1tlj) | Crystal Structure of Conserved Protein of Unknown Function SSO0622 from Sulfolobus solfataricus | Descriptor: | Hypothetical UPF0130 protein SSO0622, SULFATE ION | Authors: | Jia, Z, Wong, A.H.Y, Kudrytska, M, Skarina, T, Walker, J, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-06-09 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional characterization of the TYW3/Taw3 class of SAM-dependent methyltransferases. Rna, 23, 2017
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2IQC
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![BU of 2iqc by Molmil](/molmil-images/mine/2iqc) | Crystal structure of Human FancF Protein that Functions in the Assembly of a DNA Damage Signaling Complex | Descriptor: | Fanconi anemia group F protein, MERCURY (II) ION | Authors: | Kowal, P, Gurtan, A.M, Stuckert, P, Lehmann, C, D'Andrea, A, Ellenberger, T.E. | Deposit date: | 2006-10-13 | Release date: | 2006-11-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural determinants of human FANCF protein that function in the assembly of a DNA damage signaling complex. J.Biol.Chem., 282, 2007
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7AMP
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![BU of 7amp by Molmil](/molmil-images/mine/7amp) | Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1 | Descriptor: | Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ... | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | Deposit date: | 2020-10-09 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies Res Sq, 2022
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1SWS
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![BU of 1sws by Molmil](/molmil-images/mine/1sws) | CORE-STREPTAVIDIN MUTANT D128A AT PH 4.5 | Descriptor: | PROTEIN (STREPTAVIDIN) | Authors: | Freitag, S, Chu, V, Le Trong, I, Klumb, L.A, To, R, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1998-10-22 | Release date: | 1999-07-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural snapshot of an intermediate on the streptavidin-biotin dissociation pathway. Proc.Natl.Acad.Sci.USA, 96, 1999
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7AN8
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![BU of 7an8 by Molmil](/molmil-images/mine/7an8) | Enzyme of biosynthetic pathway | Descriptor: | 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | Deposit date: | 2020-10-11 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis J.Biol.Chem., 2022
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1SUO
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![BU of 1suo by Molmil](/molmil-images/mine/1suo) | Structure of mammalian cytochrome P450 2B4 with bound 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scott, E.E, White, M.A, He, Y.A, Johnson, E.F, Stout, C.D, Halpert, J.R. | Deposit date: | 2004-03-26 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of mammalian cytochrome P450 2B4 complexed with 4-(4-chlorophenyl)imidazole at 1.9 {angstrom} resolution: Insight into the range of P450 conformations and coordination of redox partner binding. J.Biol.Chem., 279, 2004
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2IV1
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3ZE1
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![BU of 3ze1 by Molmil](/molmil-images/mine/3ze1) | Integrin alphaIIB beta3 headpiece and RGD peptide complex | Descriptor: | 10E5 FAB HEAVY CHAIN, 10E5 FAB LIGHT CHAIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhu, J.H, Zhu, J.Q, Springer, T.A. | Deposit date: | 2012-12-03 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Complete Integrin Headpiece Opening in Eight Steps. J.Cell Biol., 201, 2013
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4IPI
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3ZLM
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![BU of 3zlm by Molmil](/molmil-images/mine/3zlm) | |
1T31
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![BU of 1t31 by Molmil](/molmil-images/mine/1t31) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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3EVF
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![BU of 3evf by Molmil](/molmil-images/mine/3evf) | Crystal structure of Me7-GpppA complex of yellow fever virus methyltransferase and S-adenosyl-L-homocysteine | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA-directed RNA polymerase NS5, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Thompson, A.A, Geiss, B.J, Peersen, O.B. | Deposit date: | 2008-10-13 | Release date: | 2009-01-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Analysis of flavivirus NS5 methyltransferase cap binding. J.Mol.Biol., 385, 2009
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4IPP
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3EFV
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![BU of 3efv by Molmil](/molmil-images/mine/3efv) | Crystal Structure of a Putative Succinate-Semialdehyde Dehydrogenase from Salmonella typhimurium LT2 with bound NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative succinate-semialdehyde dehydrogenase | Authors: | Brunzelle, J.S, Evdokimova, E, Kudritska, M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-09-10 | Release date: | 2008-11-04 | Last modified: | 2013-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and activity of the NAD(P)(+) -dependent succinate semialdehyde dehydrogenase YneI from Salmonella typhimurium. Proteins, 81, 2013
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