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5YBU
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BU of 5ybu by Molmil
Structure of the KANK1 ankyrin domain in complex with KIF21A peptide
Descriptor: KN motif and ankyrin repeat domain-containing protein 1, Kinesin-like protein KIF21A
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
6XH0
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BU of 6xh0 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.9
Descriptor: MAGNESIUM ION, TAR binding protein 6.9, TRANS-ACTIVATION RESPONSE ELEMENT
Authors:Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
5YCE
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BU of 5yce by Molmil
Sperm whale myoglobin swMb
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YT3
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BU of 5yt3 by Molmil
Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase kinase 1, isoform CRA_d, ...
Authors:Nakae, S, Doko, K, Tada, T, Shirai, T.
Deposit date:2017-11-16
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant
To Be Published
6MR0
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BU of 6mr0 by Molmil
Crystal Structure of the All-trans Retinal Bound R111K:Y134F:T54V:R132Q:P39Q:R59Y:L121E Human Cellular Retinoic Acid Binding Protein II Mutant After 5 Minutes UV irradiation at 2.6 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-10-11
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Mimicking Microbial Rhodopsin Isomerization in a Single Crystal.
J. Am. Chem. Soc., 141, 2019
6IFH
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BU of 6ifh by Molmil
Unphosphorylated Spo0F from Paenisporosarcina sp. TG-14
Descriptor: MAGNESIUM ION, Sporulation initiation phosphotransferase F
Authors:Lee, J.H, Lee, C.W.
Deposit date:2018-09-20
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of unphosphorylated Spo0F from Paenisporosarcina sp. TG-14, a psychrophilic bacterium isolated from an Antarctic glacier
Biodesign, 6(4), 2019
6XLV
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BU of 6xlv by Molmil
Crystal structure of leukemia-associated N196K mutant of U2AF65 bound to AdML splice site
Descriptor: DNA/RNA (5'-R(P*UP*UP*(UD)P*UP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
Authors:Maji, D, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2020-06-29
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Representative cancer-associated U2AF2 mutations alter RNA interactions and splicing.
J.Biol.Chem., 295, 2020
6XE7
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BU of 6xe7 by Molmil
Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Pagare, P.P, Safo, M.K, Musayev, F.N.
Deposit date:2020-06-12
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents.
J.Med.Chem., 63, 2020
8XS3
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BU of 8xs3 by Molmil
Structure of MPXV B6 and D68 fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D68_heavy chain, ...
Authors:wu, L.L, Sun, J.Q.
Deposit date:2024-01-08
Release date:2024-06-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Two noncompeting human neutralizing antibodies targeting MPXV B6 show protective effects against orthopoxvirus infections.
Nat Commun, 15, 2024
6IGL
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BU of 6igl by Molmil
Crystal Structure of human ETB receptor in complex with IRL1620
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ...
Authors:Shihoya, W, Izume, T, Inoue, A, Yamashita, K, kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
5YKS
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BU of 5yks by Molmil
Crystal structure of sucrose nonfermenting-related kinase (SNRK)
Descriptor: SNF-related serine/threonine-protein kinase
Authors:Wang, Y.L, Wang, J, Wu, J.W.
Deposit date:2017-10-16
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the kinase and UBA domains of SNRK reveals a distinct UBA binding mode in the AMPK family.
Biochem. Biophys. Res. Commun., 495, 2018
6ILJ
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BU of 6ilj by Molmil
Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Gao, G.F, Liu, S, Zhao, X, Peng, R.
Deposit date:2018-10-18
Release date:2019-05-15
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
8F28
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BU of 8f28 by Molmil
Lysozyme Structures from Single-Entity Crystallization Method NanoAC
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Yang, R, Sankaran, B, Ogbonna, E, Wang, G.
Deposit date:2022-11-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Single-Entity Method for Actively Controlled Nucleation and High-Quality Protein Crystal Synthesis.
Anal.Chem., 95, 2023
6MI0
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BU of 6mi0 by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state
Descriptor: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
Deposit date:2018-09-18
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
6N3D
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BU of 6n3d by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif (APO-State)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Loerch, S, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
6XHC
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BU of 6xhc by Molmil
Structure of glycinyl 5'-O-adenosine phosphoramidate
Descriptor: 2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid, Ribonuclease pancreatic
Authors:Pallan, P.S, Egli, M.
Deposit date:2020-06-18
Release date:2020-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid.
Angew.Chem.Int.Ed.Engl., 59, 2020
6N3L
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BU of 6n3l by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Descriptor: N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
Authors:Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
Deposit date:2018-11-15
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6ML7
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BU of 6ml7 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ...
Authors:Horton, J.R, Cheng, X, Ren, R.
Deposit date:2018-09-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6XIH
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BU of 6xih by Molmil
Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile
Descriptor: (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
Authors:Dougan, D.R.
Deposit date:2020-06-19
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3character and an exquisite selectivity profile.
Bioorg.Med.Chem.Lett., 30, 2020
6N4D
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BU of 6n4d by Molmil
The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, H, Stevens, J.
Deposit date:2018-11-19
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States.
J. Infect. Dis., 216, 2017
5YRS
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BU of 5yrs by Molmil
X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate
Descriptor: PROTEASE, RT-RH oligopeprtide
Authors:Das, A, Mahale, S, Prashar, V, Bihani, S, Ferrer, J.-L, Hosur, M.V.
Deposit date:2017-11-10
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:X-ray snapshot of HIV-1 protease in action: observation of tetrahedral intermediate and short ionic hydrogen bond SIHB with catalytic aspartate.
J. Am. Chem. Soc., 132, 2010
6IQ5
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BU of 6iq5 by Molmil
Crystal Structure of CYP1B1 and Inhibitor Having Azide Group
Descriptor: 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kubo, M, Yamamoto, K, Itoh, T.
Deposit date:2018-11-06
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone.
Bioorg. Med. Chem., 27, 2019
6XX3
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Crystal structure of the c-Src SH3 domain H122R-Q128E mutant in complex with Cu(II) at pH 6.5 co-crystallized with methyl beta-cyclodextrin
Descriptor: COPPER (II) ION, Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2020-01-26
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6XX9
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BU of 6xx9 by Molmil
Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form III
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Casein kinase II subunit alpha-1, SULFATE ION
Authors:Demulder, M, De Veylder, L, Loris, R.
Deposit date:2020-01-27
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.
Acta Crystallogr.,Sect.F, 76, 2020
8P1B
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BU of 8p1b by Molmil
Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
Authors:Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
Deposit date:2023-05-11
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023

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