4G4B
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![BU of 4g4b by Molmil](/molmil-images/mine/4g4b) | Room temperature X-ray diffraction study of cisplatin binding to HEWL in DMSO media with NAG after 7 months of crystal storage | Descriptor: | CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ... | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Kroon-Batenburg, L.M.J, Helliwell, J.R. | Deposit date: | 2012-07-16 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Room-temperature X-ray diffraction studies of cisplatin and carboplatin binding to His15 of HEWL after prolonged chemical exposure. Acta Crystallogr.,Sect.F, 68, 2012
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4GCD
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3VSK
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6F0P
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![BU of 6f0p by Molmil](/molmil-images/mine/6f0p) | Botulinum neurotoxin A4 Hc domain | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Davies, J.R, Rees, J, Liu, S.M, Acharya, K.R. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol., 202, 2018
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3UNX
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![BU of 3unx by Molmil](/molmil-images/mine/3unx) | Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | Authors: | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | Deposit date: | 2011-11-16 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr.,Sect.D, 68, 2012
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3V78
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![BU of 3v78 by Molmil](/molmil-images/mine/3v78) | Crystal Structure of Transcriptional Regulator | Descriptor: | ETHIDIUM, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | Authors: | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | Deposit date: | 2011-12-20 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis. Nucleic Acids Res., 40, 2012
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3V6G
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![BU of 3v6g by Molmil](/molmil-images/mine/3v6g) | Crystal Structure of Transcriptional Regulator | Descriptor: | PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | Authors: | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | Deposit date: | 2011-12-19 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.821 Å) | Cite: | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis. Nucleic Acids Res., 40, 2012
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1HKY
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![BU of 1hky by Molmil](/molmil-images/mine/1hky) | Solution structure of a PAN module from Eimeria tenella | Descriptor: | MICRONEME PROTEIN 5 PRECURSOR | Authors: | Brown, P.J, Mulvey, D, Potts, J.R, Tomley, F.M, Campbell, I.D. | Deposit date: | 2002-10-03 | Release date: | 2002-10-17 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Pan Module from the Apicomplexan Parasite Eimeria Tenella J.Struct.Funct.Genom., 4, 2003
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4EW5
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![BU of 4ew5 by Molmil](/molmil-images/mine/4ew5) | C-terminal domain of inner membrane protein CigR from Salmonella enterica. | Descriptor: | 1,2-ETHANEDIOL, CigR Protein | Authors: | Osipiuk, J, Xu, X, Cui, H, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Niemann, G.S, Merkley, E.D, Savchenko, A, Adkins, J.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | Deposit date: | 2012-04-26 | Release date: | 2012-05-23 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | C-terminal domain of inner membrane protein CigR from Salmonella enterica. To be Published
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4FNJ
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4FHT
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![BU of 4fht by Molmil](/molmil-images/mine/4fht) | Crystal Structure of the PcaV transcriptional regulator from Streptomyces coelicolor in complex with its natural ligand | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, PcaV transcriptional regulator | Authors: | Brown, B.L, Davis, J.R, Sello, J.K, Page, R. | Deposit date: | 2012-06-06 | Release date: | 2013-04-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Study of PcaV from Streptomyces coelicolor yields new insights into ligand-responsive MarR family transcription factors. Nucleic Acids Res., 41, 2013
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1HRZ
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![BU of 1hrz by Molmil](/molmil-images/mine/1hrz) | THE 3D STRUCTURE OF THE HUMAN SRY-DNA COMPLEX SOLVED BY MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND-FILTERED NMR | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*GP*TP*GP*C)-3'), HUMAN SRY | Authors: | Clore, G.M, Werner, M.H, Huth, J.R, Gronenborn, A.M. | Deposit date: | 1995-05-09 | Release date: | 1995-09-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular basis of human 46X,Y sex reversal revealed from the three-dimensional solution structure of the human SRY-DNA complex. Cell(Cambridge,Mass.), 81, 1995
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6F0O
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![BU of 6f0o by Molmil](/molmil-images/mine/6f0o) | Botulinum neurotoxin A3 Hc domain | Descriptor: | 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ... | Authors: | Davies, J.R, Liu, S.M, Acharya, K.R. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol., 202, 2018
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1FH0
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4EQR
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![BU of 4eqr by Molmil](/molmil-images/mine/4eqr) | Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR | Descriptor: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | Authors: | Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. | Deposit date: | 2012-04-19 | Release date: | 2012-10-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
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1FPO
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1FLH
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![BU of 1flh by Molmil](/molmil-images/mine/1flh) | CRYSTAL STRUCTURE OF HUMAN UROPEPSIN AT 2.45 A RESOLUTION | Descriptor: | UROPEPSIN | Authors: | Canduri, F, Teodoro, L.G.V.L, Fadel, V, Lorenzi, C.C.B, Hial, V, Gomes, R.A.S, Neto, J.R, De Azevedo Jr, W.F. | Deposit date: | 2000-08-14 | Release date: | 2001-10-31 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of human uropepsin at 2.45 A resolution. Acta Crystallogr.,Sect.D, 57, 2001
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4ELL
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6DIG
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![BU of 6dig by Molmil](/molmil-images/mine/6dig) | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide | Descriptor: | 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | Deposit date: | 2018-05-23 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls. Nat Commun, 10, 2019
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3UXM
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![BU of 3uxm by Molmil](/molmil-images/mine/3uxm) | Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | Descriptor: | 5'-deoxy-5'-fluorothymidine, MAGNESIUM ION, Thymidylate kinase | Authors: | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | Deposit date: | 2011-12-05 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J.Med.Chem., 55, 2012
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1ULA
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![BU of 1ula by Molmil](/molmil-images/mine/1ula) | APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | Descriptor: | PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | Deposit date: | 1991-11-05 | Release date: | 1993-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc.Natl.Acad.Sci.USA, 88, 1991
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1IMS
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![BU of 1ims by Molmil](/molmil-images/mine/1ims) | MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG) | Descriptor: | 4'-DEOXY-4'-IODODOXORUBICIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3') | Authors: | Berger, I, Su, L, Spitzner, J.R, Kang, C, Burke, T.G, Rich, A. | Deposit date: | 1995-10-23 | Release date: | 1996-04-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG). Nucleic Acids Res., 23, 1995
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4H2L
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![BU of 4h2l by Molmil](/molmil-images/mine/4h2l) | Deer mouse hemoglobin in hydrated format | Descriptor: | Alpha-globin, Beta globin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Inoguchi, N, Oshlo, J.R, Natarajan, C, Weber, R.E, Fago, A, Storz, J.F, Moriyama, H. | Deposit date: | 2012-09-12 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.779 Å) | Cite: | Deer mouse hemoglobin exhibits a lowered oxygen affinity owing to mobility of the E helix. Acta Crystallogr.,Sect.F, 69, 2013
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1IT3
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![BU of 1it3 by Molmil](/molmil-images/mine/1it3) | Hagfish CO ligand hemoglobin | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin | Authors: | Mito, M, Chong, K.T, Park, S.-Y, Tame, J.R. | Deposit date: | 2002-01-05 | Release date: | 2002-01-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of deoxy- and carbonmonoxyhemoglobin F1 from the hagfish Eptatretus burgeri J.Biol.Chem., 277, 2002
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1ULB
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![BU of 1ulb by Molmil](/molmil-images/mine/1ulb) | APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | Descriptor: | GUANINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Ealick, S.E, Rule, S.A, Carter, D.C, Greenhough, T.J, Babu, Y.S, Cook, W.J, Habash, J, Helliwell, J.R, Stoeckler, J.D, Parksjunior, R.E, Chen, S.-F, Bugg, C.E. | Deposit date: | 1991-11-05 | Release date: | 1993-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc.Natl.Acad.Sci.USA, 88, 1991
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