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6IPZ
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BU of 6ipz by Molmil
Fyn SH3 domain R96W mutant, crystallized with 18-crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
8F07
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BU of 8f07 by Molmil
Proteinase K Anomalous Dataset at 273 K and 12 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5UFE
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BU of 5ufe by Molmil
Wild-type K-Ras(GNP)/R11.1.6 complex
Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, J.A, Mattos, C.
Deposit date:2017-01-04
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:An engineered protein antagonist of K-Ras/B-Raf interaction.
Sci Rep, 7, 2017
6I3R
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BU of 6i3r by Molmil
Structure, dynamics and roX2-lncRNA binding of tandem double-stranded RNA binding domains dsRBD1/2 of Drosophila helicase MLE
Descriptor: Dosage compensation regulator
Authors:Jagtap, P.K.A, Buelow, S.v, Masiewicz, P, Simon, B, Hennig, J.
Deposit date:2018-11-07
Release date:2019-02-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure, dynamics and roX2-lncRNA binding of tandem double-stranded RNA binding domains dsRBD1,2 of Drosophila helicase Maleless.
Nucleic Acids Res., 47, 2019
6IS1
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BU of 6is1 by Molmil
Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain in complex with BeF3 and Mg
Descriptor: BERYLLIUM TRIFLUORIDE ION, IMIDAZOLE, MAGNESIUM ION, ...
Authors:Wen, Y, Ouyang, Z.
Deposit date:2018-11-15
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Deciphering the activation and recognition mechanisms of Staphylococcus aureus response regulator ArlR.
Nucleic Acids Res., 47, 2019
5TP0
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BU of 5tp0 by Molmil
Human mesotrypsin in complex with diminazene
Descriptor: BERENIL, CALCIUM ION, SULFATE ION, ...
Authors:Kayode, O, Soares, A, Radisky, E.S.
Deposit date:2016-10-19
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small molecule inhibitors of mesotrypsin from a structure-based docking screen.
PLoS ONE, 12, 2017
7BR5
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BU of 7br5 by Molmil
Lysozyme-sugar complex in H2O
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Tanaka, I, Chatake, T.
Deposit date:2020-03-26
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1 Å)
Cite:Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
8F00
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BU of 8f00 by Molmil
Lysozyme Anomalous Dataset at 293 K and 12 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
4NPT
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BU of 4npt by Molmil
Crystal Structure of HIV-1 Protease Multiple Mutant P51 Complexed with Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease
Authors:Zhang, Y, Weber, I.T.
Deposit date:2013-11-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structures of darunavir-resistant HIV-1 protease mutant reveal atypical binding of darunavir to wide open flaps.
Acs Chem.Biol., 9, 2014
6CTH
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BU of 6cth by Molmil
Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
Descriptor: ACETATE ION, Concanavalin A-like lectin protein kinase family protein, MAGNESIUM ION, ...
Authors:Tosarini, T.R, Profeta, G.S, dos Reis, C.V, Counago, R.M, Massirer, K.B, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-23
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
To Be Published
8EKA
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BU of 8eka by Molmil
Cryo-EM structure of a potent anti-malarial antibody L9 in complex with Plasmodium falciparum circumsporozoite protein (PfCSP)(class 2)
Descriptor: Circumsporozoite protein, L9 Fab heavy chain, L9 Fab light chain
Authors:Tripathi, P, Kwong, P.D.
Deposit date:2022-09-20
Release date:2023-03-15
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of anti-malarial antibody L9 with circumsporozoite protein reveal trimeric L9 association and complete 27-residue epitope.
Structure, 31, 2023
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSJ
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BU of 7ksj by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
8EZU
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BU of 8ezu by Molmil
Lysozyme Anomalous Dataset at 273 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
5Y5C
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BU of 5y5c by Molmil
Crystal structure of dha bind to bovine beta-lactoglobulin
Descriptor: Beta-lactoglobulin, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
Authors:Jiang, L, Liu, J.
Deposit date:2017-08-08
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of dha bind to bovine beta-lactoglobulin
To Be Published
7KU0
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BU of 7ku0 by Molmil
Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
4NQQ
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BU of 4nqq by Molmil
Crystal structure of mouse P-cadherin extracellular domains EC1-EC2
Descriptor: CALCIUM ION, COPPER (II) ION, Cadherin-3
Authors:Brasch, J, Shapiro, L.
Deposit date:2013-11-25
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
5Y5I
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BU of 5y5i by Molmil
Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
8EZP
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BU of 8ezp by Molmil
Lysozyme Anomalous Dataset at 260 K and 7.1 keV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
7KU2
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BU of 7ku2 by Molmil
Data clustering and dynamics of chymotrypsinogen clulster 140 (structure)
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.185 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
4NHQ
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BU of 4nhq by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-11-05
Release date:2014-09-17
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
8F06
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BU of 8f06 by Molmil
Proteinase K Anomalous Dataset at 310 K and 7.1 keV
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Doukov, T, Yabukarski, F, Herschlag, D.
Deposit date:2022-11-01
Release date:2023-03-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
5TSL
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BU of 5tsl by Molmil
Molecular Dynamics Flexible Fitting Model of Coxsackievirus A16 empty Procapsid VP3 Subunit
Descriptor: coxsackievirus A16
Authors:Fan, C, Cong, Y, Ye, X, Huang, Z.
Deposit date:2016-10-29
Release date:2017-02-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Structural alteration and surface modifi cation of coxsackievirus A16 capsids by beta-propiolactone treatment
J.VIROL., 2017
8EPU
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BU of 8epu by Molmil
1.6 A crystal structure of the lipocalin dog allergen Can f 1 with the C118S mutation
Descriptor: Major allergen Can f 1
Authors:Min, J, Pedersen, L.C, Geoffrey, M.A.
Deposit date:2022-10-06
Release date:2023-04-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7.
Front Allergy, 4, 2023

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PDB entries from 2024-08-07

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