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6D3R
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BU of 6d3r by Molmil
Thermostablilized dephosphorylated chicken CFTR
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator
Authors:Fay, J.F, Riordan, J.R.
Deposit date:2018-04-16
Release date:2018-10-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM Visualization of an Active High Open Probability CFTR Anion Channel.
Biochemistry, 57, 2018
1F5T
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BU of 1f5t by Molmil
DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL AND DTXR CONSENSUS BINDING SEQUENCE
Descriptor: 43MER DNA CONTAINING DXTR CONSENSUS BINDING SEQUENCE, DIPHTHERIA TOXIN REPRESSOR, NICKEL (II) ION
Authors:Chen, S, White, A, Love, J, Murphy, J.R, Ringe, D.
Deposit date:2000-06-15
Release date:2000-09-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Methyl groups of thymine bases are important for nucleic acid recognition by DtxR.
Biochemistry, 39, 2000
1U7M
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BU of 1u7m by Molmil
Solution structure of a diiron protein model: Due Ferri(II) turn mutant
Descriptor: Four-helix bundle model, ZINC ION
Authors:Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
Deposit date:2004-08-04
Release date:2005-03-01
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
6CJN
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BU of 6cjn by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95T mutation
Descriptor: Chalcone--flavonone isomerase 1, SULFATE ION
Authors:Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
Deposit date:2018-02-26
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
3TIQ
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BU of 3tiq by Molmil
Crystal structure of Staphylococcus aureus SasG G51-E-G52 module
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Surface protein G
Authors:Gruszka, D.T, Wojdyla, J.A, Turkenburg, J.P, Potts, J.R.
Deposit date:2011-08-21
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8739 Å)
Cite:Staphylococcal biofilm-forming protein has a contiguous rod-like structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
1GJB
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BU of 1gjb by Molmil
ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS
Descriptor: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
3TMZ
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BU of 3tmz by Molmil
Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ...
Authors:Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
Deposit date:2011-09-01
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
3TW1
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BU of 3tw1 by Molmil
Structure of Rtt106-AHN
Descriptor: GLYCEROL, Histone chaperone RTT106, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE
Authors:Su, D, Thompson, J.R, Mer, G.
Deposit date:2011-09-21
Release date:2012-02-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106.
Nature, 483, 2012
3TXG
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BU of 3txg by Molmil
HEWL co-crystallization with cisplatin in DMSO media with paratone as the cryoprotectant
Descriptor: CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
1G1X
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BU of 1g1x by Molmil
STRUCTURE OF RIBOSOMAL PROTEINS S15, S6, S18, AND 16S RIBOSOMAL RNA
Descriptor: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S15, 30S RIBOSOMAL PROTEIN S18, ...
Authors:Agalarov, S.C, Prasad, G.S, Funke, P.M, Stout, C.D, Williamson, J.R.
Deposit date:2000-10-13
Release date:2000-10-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the S15,S6,S18-rRNA complex: assembly of the 30S ribosome central domain.
Science, 288, 2000
3TXB
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BU of 3txb by Molmil
HEWL co-crystallization with cisplatin in aqueous media with glycerol as the cryoprotectant
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3TXJ
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BU of 3txj by Molmil
HEWL co-crystallization with NAG with silicone oil as the cryoprotectant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3SZM
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BU of 3szm by Molmil
STRUCTURE OF HUMAN MICROCEPHALIN (MCPH1) TANDEM BRCT DOMAINS IN COMPLEX WITH A GAMMA-H2AX PHOSPHOPEPTIDE
Descriptor: Histone H2A.x, Microcephalin
Authors:Singh, N, Thompson, J.R, Mer, G.
Deposit date:2011-07-19
Release date:2011-11-30
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Dual recognition of phosphoserine and phosphotyrosine in histone variant H2A.X by DNA damage response protein MCPH1.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EVX
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BU of 4evx by Molmil
Crystal structure of putative phage endolysin from S. enterica
Descriptor: Putative phage endolysin
Authors:Michalska, K, Li, H, Jedrzejczak, R, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-04-26
Release date:2012-05-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of putative phage endolysin from S. enterica
To be Published
4ELJ
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BU of 4elj by Molmil
Crystal structure of the inactive retinoblastoma protein phosphorylated at T373
Descriptor: Retinoblastoma-associated protein
Authors:Burke, J.R, Rubin, S.M.
Deposit date:2012-04-10
Release date:2012-05-23
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of inactive retinoblastoma protein reveal multiple mechanisms for cell cycle control.
Genes Dev., 26, 2012
4EW7
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BU of 4ew7 by Molmil
The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium
Descriptor: ACETIC ACID, CHLORIDE ION, Conjugative transfer: regulation, ...
Authors:Wu, R, Jedrzejczak, R.P, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, 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:2012-09-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium
To be Published
4EXK
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BU of 4exk by Molmil
A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 from Salmonella enterica
Descriptor: Maltose-binding periplasmic protein, uncharacterized protein chimera, TRIETHYLENE GLYCOL, ...
Authors:Nocek, B, Hatzos-Skintges, C, Jedrzejczak, R, Babnigg, G, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-04-30
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 form Salmonella enterica
To be Published
3SVM
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BU of 3svm by Molmil
Human MPP8 - human DNMT3AK47me2 peptide
Descriptor: DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8
Authors:Chang, Y, Horton, J.R, Zhang, X, Cheng, X.
Deposit date:2011-07-12
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
4F21
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BU of 4f21 by Molmil
Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis
Descriptor: Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form
Authors:Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-05-07
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis.
J.Biol.Chem., 288, 2013
4F0Q
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BU of 4f0q by Molmil
MspJI Restriction Endonuclease - P21 Form
Descriptor: MAGNESIUM ION, Restriction endonuclease
Authors:Horton, J.R, Mabuchi, M, Cohen-Karni, D, Zhang, X, Griggs, R, Samaranayake, M, Roberts, R.J, Zheng, Y, Cheng, X.
Deposit date:2012-05-04
Release date:2012-08-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:Structure and cleavage activity of the tetrameric MspJI DNA modification-dependent restriction endonuclease.
Nucleic Acids Res., 40, 2012
3SWC
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BU of 3swc by Molmil
GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide
Descriptor: DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Chang, Y, Horton, J.R, Zhang, X, Cheng, X.
Deposit date:2011-07-13
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
6DFI
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BU of 6dfi by Molmil
Crystal structure of anti-Zika antibody Z021 bound to Zika virus envelope protein DIII
Descriptor: Zika virus envelope protein DIII, anti-Zika antibody Z021, Heavy Chain, ...
Authors:Keeffe, J.R, Bjorkman, P.J.
Deposit date:2018-05-14
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A Combination of Two Human Monoclonal Antibodies Prevents Zika Virus Escape Mutations in Non-human Primates.
Cell Rep, 25, 2018
4G4H
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BU of 4g4h by Molmil
100K X-ray diffraction study of carboplatin binding to HEWL in DMSO media after 13 months of crystal storage
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
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 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
4G9Y
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BU of 4g9y by Molmil
Crystal Structure of the PcaV transcriptional regulator from Streptomyces coelicolor
Descriptor: GLYCEROL, PcaV transcriptional regulator
Authors:Brown, B.L, Davis, J.R, Sello, J.K, Page, R.
Deposit date:2012-07-24
Release date:2013-06-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Study of PcaV from Streptomyces coelicolor yields new insights into ligand-responsive MarR family transcription factors.
Nucleic Acids Res., 41, 2013
6DF6
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BU of 6df6 by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab
Descriptor: (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C.
Deposit date:2018-05-14
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019

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