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6HQR
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BU of 6hqr by Molmil
Crystal structure of GcoA F169H bound to syringol
Descriptor: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2018-09-25
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HCK
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BU of 5hck by Molmil
HUMAN HCK SH3 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: HEMATOPOIETIC CELL KINASE
Authors:Horita, D.A, Baldisseri, D.M, Zhang, W, Altieri, A.S, Smithgall, T.E, Gmeiner, W.H, Byrd, R.A.
Deposit date:1998-03-09
Release date:1998-06-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the human Hck SH3 domain and identification of its ligand binding site.
J.Mol.Biol., 278, 1998
5L15
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BU of 5l15 by Molmil
The crystal structure of neuraminidase in complex with oseltamivir from A/Shanghai/2/2013 (H7N9) influenza virus
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, H, Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L1V
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BU of 5l1v by Molmil
X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5HBI
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BU of 5hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM
Descriptor: CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E.
Deposit date:1998-06-24
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
7BYP
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BU of 7byp by Molmil
Lysozyme structure SASE1 from SASE mode
Descriptor: Lysozyme C
Authors:Kang, H.S, Lee, S.J.
Deposit date:2020-04-24
Release date:2021-03-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
6HGK
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BU of 6hgk by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with progesterone
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, PROGESTERONE
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
7BYO
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BU of 7byo by Molmil
Lysozyme structure SS1 from SS mode
Descriptor: Lysozyme C
Authors:Kang, H.S, Lee, S.J.
Deposit date:2020-04-24
Release date:2021-03-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
5I4C
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BU of 5i4c by Molmil
Crystal structure of non-phosphorylated receiver domain of the stress response regulator RcsB from Escherichia coli
Descriptor: Transcriptional regulatory protein RcsB
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Ruan, J, Pshenychnyi, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-11
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of nonphosphorylated receiver domain of the stress response regulator RcsB from Escherichia coli.
Protein Sci., 25, 2016
6HIP
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BU of 6hip by Molmil
Structure of SPF45 UHM bound to HIV-1 Rev ULM
Descriptor: HIV-1 Rev (41-49), SODIUM ION, Splicing factor 45, ...
Authors:Pabis, M, Corsini, L, Sattler, M.
Deposit date:2018-08-30
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Modulation of HIV-1 gene expression by binding of a ULM motif in the Rev protein to UHM-containing splicing factors.
Nucleic Acids Res., 47, 2019
5L92
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BU of 5l92 by Molmil
The 2.1 A crystal structure of CYP109E1 from Bacillus megaterium in complex with corticosterone
Descriptor: CORTICOSTERONE, Cytochrome P450, MALONIC ACID, ...
Authors:Jozwik, I.K, Thunnissen, A.M.W.H.
Deposit date:2016-06-09
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of steroid binding and oxidation by the cytochrome P450 CYP109E1 from Bacillus megaterium.
Febs J., 283, 2016
6HTU
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BU of 6htu by Molmil
Structure of hStau1 dsRBD3-4 in complex with ARF1 RNA
Descriptor: Double-stranded RNA-binding protein Staufen homolog 1, RNA (19-MER)
Authors:Emmerich, C, Lazzaretti, D, Bandholz-Cajamarca, L, Bono, F.
Deposit date:2018-10-04
Release date:2018-11-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.888 Å)
Cite:The crystal structure of Staufen1 in complex with a physiological RNA sheds light on substrate selectivity.
Life Sci Alliance, 1, 2018
5KXW
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BU of 5kxw by Molmil
Hen Egg White Lysozyme at 278K, Data set 6
Descriptor: Lysozyme C, SODIUM ION
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5I54
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BU of 5i54 by Molmil
Exploring onset of lysozyme denaturation by urea - soak period 4 hours
Descriptor: CHLORIDE ION, Lysozyme C, UREA
Authors:Hosur, M.V, Raskar, T, Khavnekar, S.
Deposit date:2016-02-14
Release date:2017-02-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Time-dependent X-ray diffraction studies on urea/hen egg white lysozyme complexes reveal structural changes that indicate onset of denaturation
Sci Rep, 6, 2016
5I4W
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BU of 5i4w by Molmil
Exploring the onset of lysozyme denaturation by urea
Descriptor: Lysozyme C
Authors:Hosur, M.V, Raskar, T.
Deposit date:2016-02-13
Release date:2017-02-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-dependent X-ray diffraction studies on urea/hen egg white lysozyme complexes reveal structural changes that indicate onset of denaturation
Sci Rep, 6, 2016
5L14
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BU of 5l14 by Molmil
The crystal structure of neuraminidase from A/Shanghai/2/2013 (H7N9) influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Yang, H, Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
6HWV
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BU of 6hwv by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mueller, M.P, Rauh, D.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
5I5Q
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BU of 5i5q by Molmil
Re refinement of 4mwn.
Descriptor: DIMETHYL SULFOXIDE, Lysozyme C, NITRATE ION, ...
Authors:Helliwell, J.R.
Deposit date:2016-02-15
Release date:2016-05-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)].
Struct Dyn, 3, 2016
7BU4
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BU of 7bu4 by Molmil
Crystal structure of CK2a1 complexed with KY49
Descriptor: 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid, Casein Kinase 2 subunit alpha
Authors:Tsuyuguchi, M, Kinoshita, T.
Deposit date:2020-04-04
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.70227313 Å)
Cite:Design, synthesis and SAR studies of protein kinase CK2 inhibitors with a purine scaffold
To Be Published
5L1U
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BU of 5l1u by Molmil
X-ray Structure of M81A mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5L23
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BU of 5l23 by Molmil
Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand
Descriptor: Adapter molecule crk, C3G derived peptide, DI(HYDROXYETHYL)ETHER
Authors:Bhatt, V.S, Krieger, I, Sacchettini, J, Cho, J.-H.
Deposit date:2016-07-30
Release date:2016-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand
To Be Published
5KXZ
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BU of 5kxz by Molmil
Hen Egg White Lysozyme at 278K, Data set 9
Descriptor: Lysozyme C, SODIUM ION
Authors:Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
Deposit date:2016-07-20
Release date:2016-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5L2T
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BU of 5l2t by Molmil
The X-ray co-crystal structure of human CDK6 and Ribociclib.
Descriptor: 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
Authors:Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
Deposit date:2016-08-02
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
6HOR
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BU of 6hor by Molmil
Human protein kinase CK2 alpha in complex with feruloylmethane
Descriptor: (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
5I3O
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BU of 5i3o by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION
Authors:Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published

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