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5OCO
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BU of 5oco by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, GTPase KRas, ...
Authors:Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
Deposit date:2017-07-03
Release date:2018-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
2W7F
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BU of 2w7f by Molmil
Crystal structure of Y51FbsSHMT L-Ser external aldimine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N.
Deposit date:2008-12-22
Release date:2010-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage.
FEBS J., 275, 2008
4FME
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BU of 4fme by Molmil
EspG-Rab1-Arf6 complex
Descriptor: ADP-ribosylation factor 6, ALUMINUM FLUORIDE, EspG protein, ...
Authors:Shao, F, Zhu, Y.
Deposit date:2012-06-16
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
2W7I
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BU of 2w7i by Molmil
Crystal structure of Y61AbsSHMT internal aldimine
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE
Authors:Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N.
Deposit date:2008-12-22
Release date:2010-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage.
FEBS J., 275, 2008
1KF0
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BU of 1kf0 by Molmil
Crystal Structure of Pig Muscle Phosphoglycerate Kinase Ternary Complex with AMP-PCP and 3PG
Descriptor: 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Kovari, Z, Flachner, B, Naray-Szabo, G, Vas, M.
Deposit date:2001-11-19
Release date:2002-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic and thiol-reactivity studies on the complex of pig muscle phosphoglycerate kinase with ATP analogues: correlation between nucleotide binding mode and helix flexibility.
Biochemistry, 41, 2002
3K0P
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BU of 3k0p by Molmil
Cryogenic structure of CypA mutant Ser99Thr
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-24
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
1Z7S
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BU of 1z7s by Molmil
The crystal structure of coxsackievirus A21
Descriptor: CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, Human COXSACKIEVIRUS A21, ...
Authors:Xiao, C, Bator-Kelly, C.M, Rieder, E, Chipman, P.R, Craig, A, Kuhn, R.J, Wimmer, E, Rossmann, M.G.
Deposit date:2005-03-28
Release date:2005-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of coxsackievirus a21 and its interaction with icam-1.
Structure, 13, 2005
1RMU
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BU of 1rmu by Molmil
THREE-DIMENSIONAL STRUCTURES OF DRUG-RESISTANT MUTANTS OF HUMAN RHINOVIRUS 14
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
Authors:Badger, J, Krishnaswamy, S, Kremer, M.J, Oliveira, M.A, Rossmann, M.G, Heinz, B.A, Rueckert, R.R, Dutko, F.J, Mckinlay, M.A.
Deposit date:1988-10-03
Release date:1990-01-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-dimensional structures of drug-resistant mutants of human rhinovirus 14.
J.Mol.Biol., 207, 1989
5OCT
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BU of 5oct by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GTPase KRas, ...
Authors:Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
Deposit date:2017-07-03
Release date:2018-08-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
1ZK3
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BU of 1zk3 by Molmil
Triclinic crystal structure of the apo-form of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis
Descriptor: MAGNESIUM ION, R-specific alcohol dehydrogenase
Authors:Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D.
Deposit date:2005-05-02
Release date:2005-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity
J.Mol.Biol., 349, 2005
3K0M
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BU of 3k0m by Molmil
Cryogenic structure of CypA
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-24
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
3K0R
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BU of 3k0r by Molmil
Cryogenic structure of CypA mutant Arg55Lys
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-25
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
3K0N
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BU of 3k0n by Molmil
Room temperature structure of CypA
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-24
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
3K0Q
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BU of 3k0q by Molmil
Cryogenic structure of CypA mutant Ser99Thr (2)
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-24
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.317 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
3K0O
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BU of 3k0o by Molmil
Room temperature structure of CypA mutant Ser99Thr
Descriptor: Cyclophilin A
Authors:Fraser, J.S, Alber, T.
Deposit date:2009-09-24
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hidden alternative structures of proline isomerase essential for catalysis.
Nature, 462, 2009
4ERL
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BU of 4erl by Molmil
Crystal structure of the lysine riboswitch bound to a lysine-glycine dipeptide
Descriptor: GLYCINE, LYSINE, Lysine riboswitch RNA
Authors:Garst, A.D, Porter, E, Batey, R.T.
Deposit date:2012-04-20
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into the regulatory landscape of the lysine riboswitch.
J.Mol.Biol., 423, 2012
1SGS
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BU of 1sgs by Molmil
Crystal structure of a free kB DNA
Descriptor: CALCIUM ION, kB DNA
Authors:Huang, D.B, Phelps, C.B, Fusco, A.J, Ghosh, G.
Deposit date:2004-02-24
Release date:2004-03-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a free kappaB DNA: insights into DNA recognition by transcription factor NF-kappaB.
J.Mol.Biol., 346, 2005
1SJ4
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BU of 1sj4 by Molmil
Crystal structure of a C75U mutant Hepatitis Delta Virus ribozyme precursor, in Cu2+ solution
Descriptor: precursor form of the Hepatitis Delta virus ribozyme, small nuclear ribonucleoprotein A
Authors:Ke, A, Zhou, K, Ding, F, Cate, J.H, Doudna, J.A.
Deposit date:2004-03-02
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Conformational Switch controls hepatitis delta virus ribozyme catalysis
Nature, 429, 2004
3BNR
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BU of 3bnr by Molmil
Crystal Structure of the Homo sapiens Mitochondrial Ribosomal Decoding Site in the presence of nonspecifically bound paromomycin (A1555G mutant, Br-derivative)
Descriptor: A site of human mitochondrial ribosome, chain one, chain three, ...
Authors:Kondo, J, Westhof, E.
Deposit date:2007-12-14
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The bacterial and mitochondrial ribosomal A-site molecular switches possess different conformational substates
Nucleic Acids Res., 36, 2008
4ERJ
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BU of 4erj by Molmil
Crystal structure of the lysine riboswitch bound to a 6-aminocaproic acid
Descriptor: 6-AMINOHEXANOIC ACID, Lysine riboswitch RNA
Authors:Garst, A.D, Porter, E, Batey, R.T.
Deposit date:2012-04-20
Release date:2012-07-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into the regulatory landscape of the lysine riboswitch.
J.Mol.Biol., 423, 2012
3DG4
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BU of 3dg4 by Molmil
Coordinates of 16S and 23S rRNAs fitted into the cryo-EM map of RF1-bound termination complex
Descriptor: 16S Ribosomal RNA from E. coli, 23S RibosomaL RNA from E. coli
Authors:Gao, H, LeBarron, J, Frank, J.
Deposit date:2008-06-12
Release date:2009-02-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (12.8 Å)
Cite:Ribosomal Dynamics: Intrinsic Instability of a Moleculaar Machine
To be published
3DG0
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BU of 3dg0 by Molmil
Coordinates of 16S and 23S rRNAs fitted into the cryo-EM map of EF-G-bound translocation complex
Descriptor: 16S Ribosomal RNA from E. coli, 23S Ribosomal RNA from E. coli
Authors:Gao, H, LeBarron, J, Frank, J.
Deposit date:2008-06-12
Release date:2009-02-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (10.8 Å)
Cite:Ribosomal Dynamics: Intrinsic Instability of a Moleculaar Machine
To be published
7KBG
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BU of 7kbg by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)
Descriptor: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-10-02
Release date:2020-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
7K7R
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BU of 7k7r by Molmil
EBNA1 peptide AA386-405 with Fab MS39p2w174
Descriptor: CHLORIDE ION, EBNA1 peptide AA386-405, Fab HC MS39p2w174, ...
Authors:Lanz, T.V, Robinson, W.H, Jude, K.M.
Deposit date:2020-09-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Clonally expanded B cells in multiple sclerosis bind EBV EBNA1 and GlialCAM.
Nature, 603, 2022
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-10-02
Release date:2020-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020

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