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2C5N
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Authors:Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2005-10-30
Release date:2006-03-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C6K
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BU of 2c6k by Molmil
Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
Descriptor: 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2005-11-10
Release date:2005-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2C69
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Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
Descriptor: (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE, CELL DIVISION PROTEIN KINASE 2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2005-11-08
Release date:2005-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR.
Bioorg. Med. Chem. Lett., 16, 2006
2R7V
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BU of 2r7v by Molmil
Crystal Structure of Rotavirus SA11 VP1/RNA (GGCUUU) Complex
Descriptor: RNA (5'-R(*G*GP*CP*UP*UP*U)-3'), RNA-dependent RNA polymerase
Authors:Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L.
Deposit date:2007-09-10
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1.
Structure, 16, 2008
2BPM
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BU of 2bpm by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529
Descriptor: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Cameron, A, Fogliatto, G, Pevarello, P, Brasca, M.G, Orsini, P, Traquandi, G, Longo, A, Nesi, M, Orzi, F, Piutti, C, Sansonna, P, Varasi, M, Vulpetti, A, Roletto, F, Alzani, R, Ciomei, M, Albanese, C, Pastori, W, Marsiglio, A, Pesenti, E, Fiorentini, F, Bischoff, J.R, Mercurio, C.
Deposit date:2005-04-21
Release date:2005-12-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization
J.Med.Chem., 48, 2005
2R7U
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Crystal Structure of Rotavirus SA11 VP1/RNA (AAAAGCC) Complex
Descriptor: RNA (5'-R(*AP*A*AP*AP*GP*CP*C)-3'), RNA-dependent RNA polymerase
Authors:Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L.
Deposit date:2007-09-10
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1.
Structure, 16, 2008
2R7X
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BU of 2r7x by Molmil
Crystal Structure of Rotavirus SA11 VP1/RNA (UGUGACC)/GTP complex
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, RNA (5'-R(*UP*GP*UP*GP*AP*CP*C)-3'), RNA-dependent RNA polymerase
Authors:Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L.
Deposit date:2007-09-10
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1.
Structure, 16, 2008
8OI8
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BU of 8oi8 by Molmil
Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the R183W mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S.
Deposit date:2023-03-22
Release date:2023-08-16
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
6WAD
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BU of 6wad by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
Descriptor: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
to be published
4GAE
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BU of 4gae by Molmil
Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ...
Authors:Diao, J, Xue, J, Cai, G, Deng, L, Song, Y.
Deposit date:2012-07-25
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
2D0C
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BU of 2d0c by Molmil
Crystal structure of Bst-RNase HIII in complex with Mn2+
Descriptor: MANGANESE (II) ION, ribonuclease HIII
Authors:Chon, H, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
Deposit date:2005-07-31
Release date:2006-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure and structure-based mutational analyses of RNase HIII from Bacillus stearothermophilus: a new type 2 RNase H with TBP-like substrate-binding domain at the N terminus
J.Mol.Biol., 356, 2006
6VZG
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BU of 6vzg by Molmil
Cryo-EM structure of Sth1-Arp7-Arp9-Rtt102
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein ARP9, Actin-related protein 7, ...
Authors:Leschziner, A.E, Baker, R.W.
Deposit date:2020-02-28
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into assembly and function of the RSC chromatin remodeling complex.
Nat.Struct.Mol.Biol., 28, 2021
4FTS
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BU of 4fts by Molmil
Crystal structure of the N363T mutant of the Flock House virus capsid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
Deposit date:2012-06-28
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
6DCU
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BU of 6dcu by Molmil
Crystal structure of PPAR gamma co-crystallized with nTZDpa
Descriptor: 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R.
Deposit date:2018-05-08
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of PPAR gamma in complex with NMP422
To Be Published
7T3A
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BU of 7t3a by Molmil
GATOR1-RAG-RAGULATOR - Inhibitory Complex
Descriptor: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
4G4Y
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BU of 4g4y by Molmil
Crystal structure of OmpA peptidoglycan-binding domain from Acinetobacter baumannii
Descriptor: ALANINE, Outer membrane protein Omp38, SULFATE ION
Authors:Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y.
Deposit date:2012-07-16
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA
To be Published
7T3B
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BU of 7t3b by Molmil
GATOR1-RAG-RAGULATOR - GAP Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3C
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BU of 7t3c by Molmil
GATOR1-RAG-RAGULATOR - Dual Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
1CB0
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BU of 1cb0 by Molmil
STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE AT 1.7 A RESOLUTION
Descriptor: ADENINE, PROTEIN (5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE)
Authors:Appleby, T.C, Erion, M.D, Ealick, S.E.
Deposit date:1999-02-26
Release date:1999-07-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase at 1.7 A resolution provides insights into substrate binding and catalysis.
Structure Fold.Des., 7, 1999
2D0B
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BU of 2d0b by Molmil
Crystal structure of Bst-RNase HIII in complex with Mg2+
Descriptor: MAGNESIUM ION, ribonuclease HIII
Authors:Chon, H, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
Deposit date:2005-07-31
Release date:2006-07-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and structure-based mutational analyses of RNase HIII from Bacillus stearothermophilus: a new type 2 RNase H with TBP-like substrate-binding domain at the N terminus
J.Mol.Biol., 356, 2006
1EFW
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BU of 1efw by Molmil
Crystal structure of aspartyl-tRNA synthetase from Thermus thermophilus complexed to tRNAasp from Escherichia coli
Descriptor: ASPARTYL-TRNA, ASPARTYL-TRNA SYNTHETASE
Authors:Briand, C, Poterszman, A, Eiler, S, Webster, G, Thierry, J.-C, Moras, D.
Deposit date:2000-02-10
Release date:2000-06-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:An intermediate step in the recognition of tRNA(Asp) by aspartyl-tRNA synthetase.
J.Mol.Biol., 299, 2000
4GMP
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BU of 4gmp by Molmil
Crystal structure of enterovirus 71 strain 1095 procapsid
Descriptor: capsid protein VP0, capsid protein VP1, capsid protein VP3
Authors:Yoder, J.D, Hafenstein, S.
Deposit date:2012-08-16
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structures of the procapsid and mature virion of enterovirus 71 strain 1095.
J.Virol., 87, 2013
1ECJ
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BU of 1ecj by Molmil
ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH 2 AMP PER TETRAMER
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE
Authors:Muchmore, C.R, Krahn, J.M, Smith, J.L.
Deposit date:1997-07-16
Release date:1998-04-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glutamine phosphoribosylpyrophosphate amidotransferase from Escherichia coli.
Protein Sci., 7, 1998
4FV6
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Crystal Structure of the ERK2 complexed with E57
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the ERK2 complexed with E57
TO BE PUBLISHED
6VZO
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BU of 6vzo by Molmil
Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021

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