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1IKW
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BU of 1ikw by Molmil
Wild Type HIV-1 Reverse Transcriptase in Complex with Efavirenz
Descriptor: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN
Authors:Lindberg, J, Unge, T.
Deposit date:2001-05-07
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
1ILF
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BU of 1ilf by Molmil
NMR STRUCTURE OF APO CBFB
Descriptor: CORE-BINDING FACTOR
Authors:Wolf-Watz, M, Grundstrom, T, Hard, T.
Deposit date:2001-05-08
Release date:2001-09-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and backbone dynamics of Apo-CBFbeta in solution.
Biochemistry, 40, 2001
1W98
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BU of 1w98 by Molmil
The structural basis of CDK2 activation by cyclin E
Descriptor: CELL DIVISION PROTEIN KINASE 2, G1/S-SPECIFIC CYCLIN E1
Authors:Lowe, E.D, Honda, R, Dubinina, E, Skamnaki, V, Cook, A, Johnson, L.N.
Deposit date:2004-10-07
Release date:2005-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of Cyclin E1/Cdk2: Implications for Cdk2 Activation and Cdk2-Independent Roles
Embo J., 24, 2005
4Y72
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BU of 4y72 by Molmil
Human CDK1/CyclinB1/CKS2 With Inhibitor
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
Authors:Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
Deposit date:2015-02-13
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
1FKP
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BU of 1fkp by Molmil
CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT, A-CHAIN, ...
Authors:Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
Deposit date:2000-08-10
Release date:2000-11-03
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
Descriptor: Transcription-associated protein 1
Authors:Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
Deposit date:2018-09-25
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
7S65
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BU of 7s65 by Molmil
Compressed conformation of nighttime state KaiC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ...
Authors:Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C.
Deposit date:2021-09-13
Release date:2021-09-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
7S66
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BU of 7s66 by Molmil
Extended conformation of nighttime state KaiC
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION
Authors:Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C.
Deposit date:2021-09-13
Release date:2021-09-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
7S67
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BU of 7s67 by Molmil
Extended conformation of daytime state KaiC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ...
Authors:Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C.
Deposit date:2021-09-13
Release date:2021-09-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
1IKX
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BU of 1ikx by Molmil
K103N Mutant HIV-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721
Descriptor: 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE, POL POLYPROTEIN
Authors:Lindberg, J, Unge, T.
Deposit date:2001-05-07
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
4YC3
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BU of 4yc3 by Molmil
CDK1/CyclinB1/CKS2 Apo
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
Authors:Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A.
Deposit date:2015-02-19
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
1W8C
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BU of 1w8c by Molmil
CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2
Descriptor: 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2
Authors:Pratt, D.J, Endicott, J.A, Noble, M.E.M.
Deposit date:2004-09-20
Release date:2006-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
1VYZ
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BU of 1vyz by Molmil
Structure of CDK2 complexed with PNU-181227
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
Authors:Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
Deposit date:2004-05-07
Release date:2004-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
1W0X
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BU of 1w0x by Molmil
Crystal structure of human CDK2 in complex with the inhibitor olomoucine.
Descriptor: CYCLIN-DEPENDENT KINASE 2, OLOMOUCINE
Authors:Schulze-Gahmen, U, Meijer, L, Kim, S.-H.
Deposit date:2004-06-14
Release date:2005-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Modes of Ligand Recognition: Crystal Structures of Cyclin-Dependent Protein Kinase 2 in Complex with ATP and Two Inhibitors, Olomoucine and Isopentenyladenine.
Proteins, 22, 1995
7ELM
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BU of 7elm by Molmil
Structure of Csy-AcrIF24
Descriptor: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-04-12
Release date:2022-04-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
1IAR
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BU of 1iar by Molmil
INTERLEUKIN-4 / RECEPTOR ALPHA CHAIN COMPLEX
Descriptor: PROTEIN (INTERLEUKIN-4 RECEPTOR ALPHA CHAIN), PROTEIN (INTERLEUKIN-4)
Authors:Hage, T, Sebald, W, Reinemer, P.
Deposit date:1999-02-25
Release date:2000-03-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the interleukin-4/receptor alpha chain complex reveals a mosaic binding interface.
Cell(Cambridge,Mass.), 97, 1999
7Y7I
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BU of 7y7i by Molmil
chicken KNL2 in complex with the CENP-A nucleosome
Descriptor: Chains: I, Chains: J, Histone H2A type 1-B/E, ...
Authors:Ariyoshi, M, Jiang, H, Makino, F, Fukagawa, T.
Deposit date:2022-06-22
Release date:2022-07-13
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:The cryo-EM structure of the CENP-A nucleosome in complex with ggKNL2.
Biorxiv, 2022
6BK8
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BU of 6bk8 by Molmil
S. cerevisiae spliceosomal post-catalytic P complex
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Lea1, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2017-11-07
Release date:2018-02-21
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the yeast spliceosomal postcatalytic P complex.
Science, 358, 2017
5DHV
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BU of 5dhv by Molmil
HIV-1 Rev NTD dimers with variable crossing angles
Descriptor: Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ...
Authors:DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C.
Deposit date:2015-08-31
Release date:2016-06-22
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
1GTF
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BU of 1gtf by Molmil
The structure of the trp RNA-binding attenuation protein (TRAP) bound to a 53-nucleotide RNA molecule containing GAGUU repeats
Descriptor: (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRP RNA-BINDING ATTENUATION PROTEIN (TRAP), TRYPTOPHAN
Authors:Hopcroft, N.H, Wendt, A.L, Gollnick, P, Antson, A.A.
Deposit date:2002-01-15
Release date:2002-04-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Specificity of Trap-RNA Interactions: Crystal Structures of Two Complexes with Different RNA Sequences
Acta Crystallogr.,Sect.D, 58, 2002
5DGZ
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BU of 5dgz by Molmil
Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors
Descriptor: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2015-08-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5DHJ
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BU of 5dhj by Molmil
PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine)
Descriptor: 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H.
Deposit date:2015-08-31
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.457 Å)
Cite:Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5DIA
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BU of 5dia by Molmil
PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine)
Descriptor: (1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H.
Deposit date:2015-08-31
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1WCC
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BU of 1wcc by Molmil
Screening for fragment binding by X-ray crystallography
Descriptor: 2-AMINO-6-CHLOROPYRAZINE, CELL DIVISION PROTEIN KINASE 2
Authors:Cleasby, A, O'Reilly, M, Hartshorn, M.J, Murray, C.W, Tickle, I.J, Jhoti, H, Frederickson, M.
Deposit date:2004-11-12
Release date:2005-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1HQE
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BU of 1hqe by Molmil
HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
Descriptor: POL POLYPROTEIN
Authors:Ding, J, Hsiou, Y, Arnold, E.
Deposit date:2000-12-15
Release date:2001-05-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001

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