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5DR6
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BU of 5dr6 by Molmil
Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122
Descriptor: 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
Authors:Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
Deposit date:2015-09-15
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.534 Å)
Cite:Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5E8Q
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BU of 5e8q by Molmil
Crystal structure of DHFR in 20% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2015-10-14
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Solvent conditions control enzyme dynamics and catalysis
To Be Published
5DOT
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BU of 5dot by Molmil
Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), apo form
Descriptor: 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], mitochondrial, ...
Authors:Polo, L.M, de Cima, S, Fita, I, Rubio, V.
Deposit date:2015-09-11
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis.
Sci Rep, 5, 2015
3ZFI
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BU of 3zfi by Molmil
Rap1a protein (SMA2260) from Serratia marcescens
Descriptor: RAP1A PROTEIN
Authors:Srikannathasan, V, O'Rourke, P.E.F, Rao, V.A, English, G, Coulthurst, S.J, Hunter, W.N.
Deposit date:2012-12-11
Release date:2013-06-19
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens
Acta Crystallogr.,Sect.D, 69, 2013
5W4S
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BU of 5w4s by Molmil
Solution structure of C2 domain from protein kinase C alpha in ternary complex with calcium and V5-pHM peptide
Descriptor: CALCIUM ION, Protein kinase C alpha type, V5-pHM peptide
Authors:Yang, Y, Igumenova, T.I.
Deposit date:2017-06-12
Release date:2018-04-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Basis of Protein Kinase C alpha Regulation by the C-Terminal Tail.
Biophys. J., 114, 2018
3W10
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BU of 3w10 by Molmil
Aurora kinase A complexed to pyrazole aminoquinoline I
Descriptor: 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-06
Release date:2014-02-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
3W18
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BU of 3w18 by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII
Descriptor: 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-09
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
3WZJ
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BU of 3wzj by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
Descriptor: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3ZIH
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BU of 3zih by Molmil
Bacillus subtilis SepF, C-terminal domain
Descriptor: CELL DIVISION PROTEIN SEPF
Authors:Duman, R.E, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W.
Deposit date:2013-01-09
Release date:2013-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring.
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZIG
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BU of 3zig by Molmil
SepF-like protein from Pyrococcus furiosus
Descriptor: SEPF-LIKE PROTEIN
Authors:Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W.
Deposit date:2013-01-09
Release date:2013-11-27
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring.
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZIE
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BU of 3zie by Molmil
SepF-like protein from Archaeoglobus fulgidus
Descriptor: SEPF-LIKE PROTEIN
Authors:Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W.
Deposit date:2013-01-08
Release date:2013-11-20
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring
Proc.Natl.Acad.Sci.USA, 110, 2013
3SRI
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BU of 3sri by Molmil
Crystal structure of Plasmodium falciparum AMA1 in complex with a 29aa PfRON2 peptide
Descriptor: Apical membrane antigen 1, Rhoptry neck protein 2
Authors:Vulliez-Le Normand, B, Saul, F.A, Bentley, G.A.
Deposit date:2011-07-07
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional insights into the malaria parasite moving junction complex.
Plos Pathog., 8, 2012
3X1L
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BU of 3x1l by Molmil
Crystal Structure of the CRISPR-Cas RNA Silencing Cmr Complex Bound to a Target Analog
Descriptor: CRISPR system Cmr subunit Cmr2, CRISPR system Cmr subunit Cmr3, CRISPR system Cmr subunit Cmr5, ...
Authors:Osawa, T, Numata, T.
Deposit date:2014-11-20
Release date:2015-05-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Crystal structure of the CRISPR-Cas RNA silencing Cmr complex bound to a target analog.
Mol.Cell, 58, 2015
3WZK
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BU of 3wzk by Molmil
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
Descriptor: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3ZEV
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BU of 3zev by Molmil
Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
Descriptor: GLYCINE, NEUROTENSIN, NEUROTENSIN RECEPTOR 1 TM86V
Authors:Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A.
Deposit date:2012-12-07
Release date:2014-01-29
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
8YAG
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BU of 8yag by Molmil
Cryo-electron microscopic structure of an amide hydrolase from Pseudoxanthomonas wuyuanensis
Descriptor: Imidazolonepropionase, ZINC ION
Authors:Dai, L.H, Xu, Y.H, Hu, Y.M, Niu, D, Yang, X.C, Shen, P.P, Li, X, Xie, Z.Z, Li, H, Guo, R.-T, Chen, C.-C.
Deposit date:2024-02-09
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Functional characterization and structural basis of an efficient ochratoxin A-degrading amidohydrolase.
Int.J.Biol.Macromol., 278, 2024
9B8R
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BU of 9b8r by Molmil
Cryo-EM structure of S. cerevisiae PolE-core-DNA
Descriptor: DNA polymerase epsilon catalytic subunit, IRON/SULFUR CLUSTER, Primer DNA, ...
Authors:Yuan, Z, Georgescu, R, O'Donnell, M, Li, H.
Deposit date:2024-03-31
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of PCNA loading by Ctf18-RFC for leading-strand DNA synthesis
Science, 385, 2024
9C1U
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BU of 9c1u by Molmil
Cryo-EM Structure of a Tm1C Fibril
Descriptor: Tropomyosin 1 I/C
Authors:Fonda, B.D, Kato, M, Li, Y, Murray, D.T.
Deposit date:2024-05-29
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (2.31 Å)
Cite:Cryo-EM and solid state NMR together provide a more comprehensive structural investigation of protein fibrils.
Protein Sci., 33, 2024
1HR2
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BU of 1hr2 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A MUTANT P4-P6 DOMAIN (DELC209) OF TETRAHYMENA THEMOPHILA GROUP I INTRON.
Descriptor: MAGNESIUM ION, P4-P6 DELC209 MUTANT RNA RIBOZYME DOMAIN
Authors:Juneau, K, Podell, E.R, Harrington, D.J, Cech, T.R.
Deposit date:2000-12-20
Release date:2001-04-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of the enhanced stability of a mutant ribozyme domain and a detailed view of RNA--solvent interactions.
Structure, 9, 2001
7U60
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BU of 7u60 by Molmil
Integrin alpha IIB beta3 complex with cRGDfV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ...
Authors:Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A.
Deposit date:2022-03-03
Release date:2022-08-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
6V11
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BU of 6v11 by Molmil
Lon Protease from Yersinia pestis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease
Authors:Shin, M, Puchades, C, Asmita, A, Puri, N, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C.
Deposit date:2019-11-19
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for distinct operational modes and protease activation in AAA+ protease Lon.
Sci Adv, 6, 2020
9FO3
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BU of 9fo3 by Molmil
Structure of a gp140 SpyTag-SpyCatcher mi3 nanoparticle including mi3 density only.
Descriptor: CAP255 gp140 SpyTag-SpyCatcher mi3,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Woodward, J.D, Malebo, K, Chapman, R.
Deposit date:2024-06-11
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Development of a Two-Component Nanoparticle Vaccine Displaying an HIV-1 Envelope Glycoprotein that Elicits Tier 2 Neutralising Antibodies.
Vaccines (Basel), 12, 2024
8YET
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BU of 8yet by Molmil
Cryo EM structure of human phosphate channel XPR1 in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Solute carrier family 53 member 1
Authors:Lu, Y, Yue, C, Zhang, L, Yao, D, Yu, Y, Cao, Y.
Deposit date:2024-02-23
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural basis for inositol pyrophosphate gating of the phosphate channel XPR1.
Science, 2024
9B0L
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BU of 9b0l by Molmil
Cryo-EM structure of Acanthamoeba polyphaga mimivirus Fanzor2 ternary complex
Descriptor: DNA (5'-D(P*AP*GP*GP*AP*GP*GP*TP*GP*GP*CP*TP*GP*CP*CP*CP*CP*GP*AP*CP*CP*GP*TP*C)-3'), DNA (5'-D(P*CP*CP*CP*A)-3'), DNA (5'-D(P*GP*AP*CP*GP*GP*TP*CP*GP*GP*GP*C)-3'), ...
Authors:Qayyum, M.Z, Schargel, R.D, Tanwar, A.S, Kellogg, E.H, Kalathur, R.C.
Deposit date:2024-03-12
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structure of Fanzor2 reveals insights into the evolution of the TnpB superfamily.
Nat.Struct.Mol.Biol., 2024
6R90
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BU of 6r90 by Molmil
Cryo-EM structure of NCP-THF2(+1)-UV-DDB class A
Descriptor: DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ...
Authors:Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
Deposit date:2019-04-02
Release date:2019-06-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019

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