1OEZ
| Zn His46Arg mutant of Human Cu, Zn Superoxide Dismutase | Descriptor: | SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | Authors: | Strange, R.W, Antonyuk, S, Hough, M.A, Doucette, P, Rodriguez, J, Elam, J.S, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | Deposit date: | 2003-04-02 | Release date: | 2003-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Amyloid-Like Filaments and Water-Filled Nanotubes Formed by Sod1 Mutant Proteins Linked to Familial Als Nat.Struct.Biol., 10, 2003
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5GUL
| Crystal structure of Tris/PPix2/Mg2+ bound form of cyclolavandulyl diphosphate synthase (CLDS) from Streptomyces sp. CL190 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclolavandulyl diphosphate synthase, MAGNESIUM ION, ... | Authors: | Tomita, T, Kobayashi, M, Nishiyama, M, Kuzuyama, T. | Deposit date: | 2016-08-29 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure and Mechanism of the Monoterpene Cyclolavandulyl Diphosphate Synthase that Catalyzes Consecutive Condensation and Cyclization. Angew. Chem. Int. Ed. Engl., 56, 2017
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5FTO
| Crystal structure of the ALK kinase domain in complex with Entrectinib | Descriptor: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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1ZOG
| Crystal structure of protein kinase CK2 in complex with TBB-derivatives | Descriptor: | 4,5,6,7-TETRABROMO-2-(METHYLSULFANYL)-1H-BENZIMIDAZOLE, PROTEIN KINASE CK2, alpha SUBUNIT | Authors: | Battistutta, R, Mazzorana, M, Sarno, S, Kazimierczuk, Z, Zanotti, G, Pinna, L.A. | Deposit date: | 2005-05-13 | Release date: | 2005-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole. Chem.Biol., 12, 2005
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1OZU
| Crystal Structure of Familial ALS Mutant S134N of human Cu,Zn Superoxide Dismutase (CuZnSOD) to 1.3A resolution | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Elam, J.S, Taylor, A.B, Strange, R, Antonyuk, S, Doucette, P.A, Rodriguez, J.A, Hasnain, S.S, Hayward, L.J, Valentine, J.S, Yeates, T.O, Hart, P.J. | Deposit date: | 2003-04-09 | Release date: | 2003-05-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Amyloid-like Filaments and Water-filled Nanotubes Formed by SOD1 Mutant Proteins Linked to Familial ALS Nat.Struct.Biol., 10, 2003
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3SM1
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4K08
| Periplasmic sensor domain of chemotaxis protein, Adeh_3718 | Descriptor: | ACETATE ION, Methyl-accepting chemotaxis sensory transducer, ZINC ION | Authors: | Pokkuluri, P.R, Mack, J.C, Bearden, J, Rakowski, E, Schiffer, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-04-03 | Release date: | 2013-07-17 | Last modified: | 2015-04-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of periplasmic sensor domains from Anaeromyxobacter dehalogenans 2CP-C: structure of one sensor domain from a histidine kinase and another from a chemotaxis protein. Microbiologyopen, 2, 2013
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3O0I
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1YV7
| X-ray structure of (C87S,des103-104) onconase | Descriptor: | P-30 protein, SULFATE ION | Authors: | Merlino, A, Mazzarella, L, Carannante, A, Di Fiore, A, Di Donato, A, Notomista, E, Sica, F. | Deposit date: | 2005-02-15 | Release date: | 2005-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Importance of Dynamic Effects on the Enzyme Activity: X-RAY STRUCTURE AND MOLECULAR DYNAMICS OF ONCONASE MUTANTS J.Biol.Chem., 280, 2005
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4I5Z
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4K0D
| Periplasmic sensor domain of sensor histidine kinase, Adeh_2942 | Descriptor: | ACETATE ION, CHLORIDE ION, Periplasmic sensor hybrid histidine kinase, ... | Authors: | Pokkuluri, P.R, Mack, J.C, Bearden, J, Rakowski, E, Schiffer, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-04-03 | Release date: | 2013-06-12 | Last modified: | 2015-04-15 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Analysis of periplasmic sensor domains from Anaeromyxobacter dehalogenans 2CP-C: structure of one sensor domain from a histidine kinase and another from a chemotaxis protein. Microbiologyopen, 2, 2013
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1N1L
| CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X) | Descriptor: | HCV NS3 SERINE PROTEASE, NS4A COFACTOR, ZINC ION, ... | Authors: | Andrews, D.M, Chaignot, H, Coomber, B.A, Good, A.C, Hind, S.L, Jones, P.S, Mill, G, Robinson, J.E, Skarzynski, T, Slater, M.J, Somers, D.O.N. | Deposit date: | 2002-10-18 | Release date: | 2003-10-21 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pyrrolidine-5,5-trans-lactams. 2. The use of X-ray Crystal Structure Data in the Optimisation of P3 and P4 Substituents Org.Lett., 4, 2002
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1OZT
| Crystal Structure of apo-H46R Familial ALS Mutant human Cu,Zn Superoxide Dismutase (CuZnSOD) to 2.5A resolution | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Elam, J.S, Taylor, A.B, Strange, R, Antonyuk, S, Doucette, P.A, Rodriguez, J.A, Hasnain, S.S, Hayward, L.J, Valentine, J.S, Yeates, T.O, Hart, P.J. | Deposit date: | 2003-04-09 | Release date: | 2003-05-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Amyloid-like Filaments and Water-filled Nanotubes Formed by SOD1 Mutant Proteins Linked to Familial ALS Nat.Struct.Biol., 10, 2003
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1J01
| Crystal Structure Of The Xylanase Cex With Xylobiose-Derived Inhibitor Isofagomine lactam | Descriptor: | (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside, beta-1,4-xylanase | Authors: | Williams, S.J, Notenboom, V, Wicki, J, Rose, D.R, Withers, S.G. | Deposit date: | 2002-10-25 | Release date: | 2002-11-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A New, Simple, High-Affinity Glycosidase Inhibitor: Analysis of Binding through X-ray Crystallography, Mutagenesis, and Kinetic Analysis J.Am.Chem.Soc., 122, 2000
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3UBV
| Oxygen-bound hell's gate globin I by classical hanging drop | Descriptor: | Hemoglobin-like flavoprotein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scudieri, D, Belmonte, L, Saito, J.A, Alam, M, Nicolini, C, Pechkova, E. | Deposit date: | 2011-10-25 | Release date: | 2012-03-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Oxygen-bound Hell's gate globin I by classical versus LB nanotemplate method. J.Cell.Biochem., 8, 2012
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1GG5
| CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION | Descriptor: | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Winski, S, Hargreaves, R, Moody, C.J, Hudnott, A.R, Ross, D, Amzel, L.M. | Deposit date: | 2000-07-12 | Release date: | 2001-09-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based development of anticancer drugs: complexes of NAD(P)H:quinone oxidoreductase 1 with chemotherapeutic quinones. Structure, 9, 2001
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3RX6
| Crystal structure of Polarity Suppression protein from Enterobacteria phage P4 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, MERCURY (II) ION, ... | Authors: | Banerjee, R, Nath, S, Khamrui, S, Sen, R, Sen, U. | Deposit date: | 2011-05-10 | Release date: | 2012-07-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.039 Å) | Cite: | The first structure of polarity suppression protein, Psu from enterobacteria phage P4, reveals a novel fold and a knotted dimer J.Biol.Chem., 287, 2012
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1PYY
| Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ... | Authors: | Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A. | Deposit date: | 2003-07-09 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains J.Biol.Chem., 278, 2003
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1G38
| ADENINE-SPECIFIC METHYLTRANSFERASE M. TAQ I/DNA COMPLEX | Descriptor: | 5'-D(*GP*AP*CP*AP*TP*CP*GP*(6MA)P*AP*C)-3', 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3', 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE, ... | Authors: | Goedecke, K, Pignot, M, Goody, R.S, Scheidig, A.J, Weinhold, E. | Deposit date: | 2000-10-23 | Release date: | 2001-03-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the N6-adenine DNA methyltransferase M.TaqI in complex with DNA and a cofactor analog. Nat.Struct.Biol., 8, 2001
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4MNT
| Crystal structure of human DJ-1 in complex with Cu | Descriptor: | COPPER (II) ION, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-11 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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4MTC
| Crystal structure of human C53A DJ-1 | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-19 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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5TRU
| Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4 | Descriptor: | Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain | Authors: | Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C. | Deposit date: | 2016-10-27 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6L7D
| Mycobacterium tuberculosis enolase mutant - S42A | Descriptor: | 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ... | Authors: | Ahmad, M, Jha, B, Tiwari, S, Dwivedy, A, Biswal, B.K. | Deposit date: | 2019-11-01 | Release date: | 2020-11-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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5VGB
| Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1 | Descriptor: | Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ... | Authors: | Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | A Broad-Spectrum Inhibitor of CRISPR-Cas9. Cell, 170, 2017
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4NU7
| 2.05 Angstrom Crystal Structure of Ribulose-phosphate 3-epimerase from Toxoplasma gondii. | Descriptor: | CHLORIDE ION, Ribulose-phosphate 3-epimerase, SULFATE ION, ... | Authors: | Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-03 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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