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4WSY
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BU of 4wsy by Molmil
Crystal structure of human Pim-1 kinase in complex with a thiazolamine-indazole inhibitor.
Descriptor: 5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-28
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4WYL
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BU of 4wyl by Molmil
Mutant K18E of 3D polymerase from Foot-and-Moth Disease Virus
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E.
Deposit date:2014-11-17
Release date:2015-05-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
4WT6
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BU of 4wt6 by Molmil
Crystal structure of human Pim-1 kinase in complex with a thiadiazolamine-indole inhibitor.
Descriptor: 6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4X2B
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BU of 4x2b by Molmil
K20A RNA dependent RNA polymerase mutant from Foot-and-Mouth disease Virus complexed with an RNA
Descriptor: MAGNESIUM ION, RNA dependent RNA polymerase, RNA primer, ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2014-11-26
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Descriptor: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-25
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4WYW
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BU of 4wyw by Molmil
Mutant K20E of 3D polymerase from Foot-and-Mouth Disease Virus
Descriptor: ACETATE ION, GLYCEROL, RNA-directed RNA polymerase 3D-POL, ...
Authors:Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E.
Deposit date:2014-11-18
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
8GCC
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BU of 8gcc by Molmil
T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1
Descriptor: 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2
Authors:Schenk, A, Deniston, C, Noeske, J.
Deposit date:2023-03-01
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections.
Science, 380, 2023
4X5T
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BU of 4x5t by Molmil
alpha 1 glycine receptor transmembrane structure fused to the extracellular domain of GLIC
Descriptor: ACETATE ION, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Sauguet, L, Corringer, P.J, Huon, C, Delarue, M.
Deposit date:2014-12-05
Release date:2015-02-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Allosteric and hyperekplexic mutant phenotypes investigated on an alpha 1 glycine receptor transmembrane structure.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WWD
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BU of 4wwd by Molmil
High-resolution structure of the Co-bound form of the Y135F mutant of C. metallidurans CnrXs
Descriptor: CARBON DIOXIDE, CHLORIDE ION, COBALT (II) ION, ...
Authors:Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H.
Deposit date:2014-11-10
Release date:2015-02-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
4WYJ
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BU of 4wyj by Molmil
Adenovirus 3 head domain mutant V239D
Descriptor: Fiber protein, SULFATE ION
Authors:Lieber, A, Zubieta, C, Fender, P.
Deposit date:2014-11-17
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin.
Mol Ther Methods Clin Dev, 2, 2015
4WZM
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BU of 4wzm by Molmil
Mutant K18E of RNA dependent RNA polymerase from Foot-and-Mouth Disease Virus complexed with RNA
Descriptor: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Verdaguer, N, Ferrer-Orta, C, de la Higuera, N.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
4X5X
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BU of 4x5x by Molmil
HLA-DR1 mutant bN82A with covalently linked CLIP106-120(M107W)
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain
Authors:Guenther, S, Freund, C.
Deposit date:2014-12-06
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:MHC class II complexes sample intermediate states along the peptide exchange pathway.
Nat Commun, 7, 2016
4WWB
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BU of 4wwb by Molmil
High-resolution structure of the Ni-bound form of the Y135F mutant of C. metallidurans CnrXs
Descriptor: CARBON DIOXIDE, CHLORIDE ION, FORMIC ACID, ...
Authors:Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H.
Deposit date:2014-11-10
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
4WZQ
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BU of 4wzq by Molmil
Mutant K20E of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with RNA
Descriptor: MANGANESE (II) ION, RNA dependent-RNA polymerase 3D, RNA template, ...
Authors:Verdaguer, N, Ferrer-Orta, C.
Deposit date:2014-11-20
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
4X5W
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BU of 4x5w by Molmil
HLA-DR1 with CLIP102-120(M107W)
Descriptor: HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Guenther, S, Freund, C.
Deposit date:2014-12-06
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:MHC class II complexes sample intermediate states along the peptide exchange pathway.
Nat Commun, 7, 2016
4Y2A
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BU of 4y2a by Molmil
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
Descriptor: 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
Authors:Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N.
Deposit date:2015-02-09
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4X9Z
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BU of 4x9z by Molmil
Dimeric conotoxin alphaD-GeXXA
Descriptor: alphaD-conotoxin GeXXA from the venom of Conus generalis
Authors:Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C.
Deposit date:2014-12-12
Release date:2015-12-02
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors
Sci Rep, 5, 2015
1AFE
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BU of 1afe by Molmil
HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP
Descriptor: 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ...
Authors:De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P.
Deposit date:1997-03-06
Release date:1997-12-03
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
1AE8
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BU of 1ae8 by Molmil
HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP
Descriptor: 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ...
Authors:De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P.
Deposit date:1997-03-06
Release date:1997-12-03
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
1BHR
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BU of 1bhr by Molmil
2'-DEOXY-ISOGUANOSINE BASE PAIRED TO THYMIDINE, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*CP*IGUP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Robinson, H, Gao, Y.-G, Bauer, C, Roberts, C, Switzer, C, Wang, A.H.-J.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:2'-Deoxyisoguanosine adopts more than one tautomer to form base pairs with thymidine observed by high-resolution crystal structure analysis.
Biochemistry, 37, 1998
4RQF
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BU of 4rqf by Molmil
human Seryl-tRNA synthetase dimer complexed with one molecule of tRNAsec
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE, Serine--tRNA ligase, ...
Authors:Xie, W, Wang, C, Guo, Y, Tian, Q, Jia, Q.
Deposit date:2014-11-03
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:SerRS-tRNASec complex structures reveal mechanism of the first step in selenocysteine biosynthesis.
Nucleic Acids Res., 43, 2015
8G59
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BU of 8g59 by Molmil
Cryo-EM structure of the TUG891 bound GPR120-Giq complex
Descriptor: 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J.
Deposit date:2023-02-12
Release date:2023-03-08
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
4RWS
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BU of 4rws by Molmil
Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target)
Descriptor: C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2
Authors:Qin, L, Kufareva, I, Holden, L, Wang, C, Zheng, Y, Wu, H, Fenalti, G, Han, G.W, Cherezov, V, Abagyan, R, Stevens, R.C, Handel, T.M, GPCR Network (GPCR)
Deposit date:2014-12-05
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine.
Science, 347, 2015
4RLV
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BU of 4rlv by Molmil
Crystal Structure of AnkB 24 Ankyrin Repeats in Complex with AnkR Autoinhibition Segment
Descriptor: Ankyrin-1, Ankyrin-2, SULFATE ION
Authors:Wei, Z, Wang, C, Zhang, M.
Deposit date:2014-10-18
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.4945 Å)
Cite:Structural basis of diverse membrane target recognitions by ankyrins.
Elife, 3, 2014
4RLY
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BU of 4rly by Molmil
Crystal Structure of AnkB Ankyrin Repeats (R1-R9) in Complex with Nav1.2 Ankyrin Binding Domain
Descriptor: Nav1.2 - AnkB chimera, SULFATE ION
Authors:Wei, Z, Wang, C, Zhang, M.
Deposit date:2014-10-18
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5032 Å)
Cite:Structural basis of diverse membrane target recognitions by ankyrins.
Elife, 3, 2014

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