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7ZZP
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BU of 7zzp by Molmil
Structure of HDAC2 complexed with an inhibitory ligand
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
Authors:Cleasby, A, Tisi, D.
Deposit date:2022-05-25
Release date:2022-09-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
2ZWA
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BU of 2zwa by Molmil
Crystal structure of tRNA wybutosine synthesizing enzyme TYW4
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Leucine carboxyl methyltransferase 2, ...
Authors:Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O.
Deposit date:2008-12-01
Release date:2009-06-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4.
Nucleic Acids Res., 37, 2009
7ZZS
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BU of 7zzs by Molmil
HDAC2 complexed with an inhibitory ligand
Descriptor: (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ...
Authors:Cleasby, A, Tisi, D.
Deposit date:2022-05-26
Release date:2022-09-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
5C26
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BU of 5c26 by Molmil
Crystal structure of SYK in complex with compound 1
Descriptor: 3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzamide, GLU-VAL-PTR-GLU-SER-PRO, Tyrosine-protein kinase SYK
Authors:Han, S, Chang, J.
Deposit date:2015-06-15
Release date:2015-10-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP).
Chemmedchem, 11, 2016
6JZY
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BU of 6jzy by Molmil
Crystal structure of AAR with NADPH and stearyl in complex with ADO binding a long chain carbohydrate
Descriptor: Aldehyde decarbonylase, FE (II) ION, HEXADECAN-1-OL, ...
Authors:Zhang, H.M, Li, M, Gao, Y.
Deposit date:2019-05-04
Release date:2020-04-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
6DJ3
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BU of 6dj3 by Molmil
Crystal structure of CNNM2 cyclic nucleotide-binding homology domain
Descriptor: 1,2-ETHANEDIOL, Metal transporter CNNM2
Authors:Chen, Y.S, Gehring, K.
Deposit date:2018-05-24
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The cyclic nucleotide-binding homology domain of the integral membrane protein CNNM mediates dimerization and is required for Mg2+efflux activity.
J. Biol. Chem., 293, 2018
6DPC
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BU of 6dpc by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 12 mM Mn2+ and 200 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6A9J
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BU of 6a9j by Molmil
Crystal structure of the PE-bound N-terminal domain of Atg2
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2
Authors:Osawa, T, Noda, N.N.
Deposit date:2018-07-13
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
5ZVR
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BU of 5zvr by Molmil
Crystal structure of R274A mutant of phosphomannose isomerase from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, Mannose-6-phosphate isomerase, ZINC ION
Authors:Bangera, M, Murthy, M.R.N.
Deposit date:2018-05-12
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and functional insights into phosphomannose isomerase: the role of zinc and catalytic residues.
Acta Crystallogr D Struct Biol, 75, 2019
3KWR
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BU of 3kwr by Molmil
Crystal structure of Putative RNA-binding protein (NP_785364.1) from LACTOBACILLUS PLANTARUM at 1.45 A resolution
Descriptor: GLYCEROL, Putative RNA-binding protein, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-01
Release date:2009-12-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Putative RNA-binding protein (NP_785364.1) from Lactobacillus plantarum at 1.45 A resolution
To be published
3KZX
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BU of 3kzx by Molmil
Crystal structure of a Had-superfamily hydrolase from Ehrlichia chaffeensis at 1.9A resolution
Descriptor: HAD-superfamily hydrolase, subfamily IA, variant 1, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-12-08
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a Had-superfamily hydrolase from Ehrlichia chaffeensis at 1.9A resolution
To be Published
6MCK
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BU of 6mck by Molmil
p97 D1D2 with CB5083 bound
Descriptor: 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, Transitional endoplasmic reticulum ATPase
Authors:Xia, D, Tang, W.K.
Deposit date:2018-08-31
Release date:2019-01-23
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Structural Basis of p97 Inhibition by the Site-Selective Anticancer Compound CB-5083.
Mol. Pharmacol., 95, 2019
6A1D
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BU of 6a1d by Molmil
Crystal structure of a synthase 1 from Santalum album in complex with ligand
Descriptor: MAGNESIUM ION, SULFATE ION, Sesquisabinene B synthase 1, ...
Authors:Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-06-07
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
5FUB
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BU of 5fub by Molmil
Crystal Structure of zebrafish Protein Arginine Methyltransferase 2 catalytic domain with SAH
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
Deposit date:2016-01-22
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
FEBS J., 284, 2017
6AGT
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BU of 6agt by Molmil
Crystal structure of PfKRS complexed with chromone inhibitor
Descriptor: COBALT (II) ION, FORMIC ACID, LYSINE, ...
Authors:Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C.
Deposit date:2018-08-14
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6AIE
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BU of 6aie by Molmil
Crystal structure of a new form of RsmD-like RNA methyl transferase from Mycobacterium tuberculosis determined at 1.74 A resolution
Descriptor: Putative methyltransferase
Authors:Venkataraman, S, Dhankar, A, Sinha, K.M, Manivasakan, P, Iqbal, N, Singh, T.P, Prasad, B.V.L.S.
Deposit date:2018-08-22
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of a new form of RsmD-like RNA methyl transferase from Mycobacterium tuberculosis determined at 1.74 A resolution
To Be Published
3ZH5
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BU of 3zh5 by Molmil
The structure of Haemophilus influenzae protein E
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PROTEIN E
Authors:Singh, B, Al-Jubair, T, Riesbeck, K, Thunnissen, M.M.G.M.
Deposit date:2012-12-20
Release date:2013-03-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The Unique Structure of Haemophilus Influenzae Protein E Reveals Multiple Binding Sites for Host Factors.
Infect.Immun., 81, 2013
2YK7
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BU of 2yk7 by Molmil
Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CMP-3F-Neu5Ac.
Descriptor: 1,2-ETHANEDIOL, CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, ...
Authors:Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
Deposit date:2011-05-25
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis
J.Biol.Chem., 286, 2011
1BN0
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BU of 1bn0 by Molmil
SL3 HAIRPIN FROM THE PACKAGING SIGNAL OF HIV-1, NMR, 11 STRUCTURES
Descriptor: SL3 RNA HAIRPIN
Authors:Pappalardo, L, Kerwood, D.J, Pelczer, I, Borer, P.N.
Deposit date:1998-07-31
Release date:1999-04-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional folding of an RNA hairpin required for packaging HIV-1.
J.Mol.Biol., 282, 1998
1D37
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BU of 1d37 by Molmil
INFLUENCE OF AGLYCONE MODIFICATIONS ON THE BINDING OF ANTHRACYCLINE DRUGS TO DNA: THE MOLECULAR STRUCTURE OF IDARUBICIN AND 4-O-DEMETHYL-11-DEOXYDOXORUBICIN COMPLEXED TO D(CGATCG)
Descriptor: 1-O-DEMETHYL-6-DEOXYDOXORUBICIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
Authors:Gao, Y.-G, Wang, A.H.-J.
Deposit date:1991-04-23
Release date:1992-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of aglycone modifications on the binding of anthracycline drugs to DNA: the molecular structure of idarubicin and 4-O-demethyl-11-deoxydoxorubicin complexed to d(CGATCG).
Anti-Cancer Drug Des., 6, 1991
1KFO
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BU of 1kfo by Molmil
CRYSTAL STRUCTURE OF AN RNA HELIX RECOGNIZED BY A ZINC-FINGER PROTEIN: AN 18 BASE PAIR DUPLEX AT 1.6 RESOLUTION
Descriptor: 5'-R(*GP*AP*AP*UP*GP*CP*CP*UP*GP*CP*GP*AP*GP*CP*AP*(5BU)P*CP*CP*C)-3'
Authors:Lima, S, Hildenbrand, J, Korostelev, A, Hattman, S, Li, H.
Deposit date:2001-11-21
Release date:2001-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of an RNA helix recognized by a zinc-finger protein: an 18-bp duplex at 1.6 A resolution.
RNA, 8, 2002
5T6W
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BU of 5t6w by Molmil
HLA-B*57:01 presenting SSTRGISQLW
Descriptor: Beta-2-microglobulin, Decapeptide: SER-SER-THR-ARG-GLY-ILE-SER-GLN-LEU-TRP, GLYCEROL, ...
Authors:Pymm, P, Rossjohn, J, Vivian, J.P.
Deposit date:2016-09-01
Release date:2017-03-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
2Z6B
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BU of 2z6b by Molmil
Crystal Structure Analysis of (gp27-gp5)3 conjugated with Fe(III) protoporphyrin
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, Baseplate structural protein Gp27, Tail-associated lysozyme
Authors:Koshiyama, T, Yokoi, N, Ueno, T, Kanamaru, S, Nagano, S, Shiro, Y, Arisaka, F, Watanabe, Y.
Deposit date:2007-07-28
Release date:2008-04-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Molecular design of heteroprotein assemblies providing a bionanocup as a chemical reactor.
Small, 4, 2008
7AT9
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BU of 7at9 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-29
Release date:2021-08-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
4YVK
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BU of 4yvk by Molmil
Crystal Structure of H. influenzae TrmD in complex with sinefungin and tRNA variant (G36C)
Descriptor: SINEFUNGIN, tRNA, tRNA (guanine-N(1)-)-methyltransferase
Authors:Yoshida, K, Ito, T, Yokoyama, S.
Deposit date:2015-03-20
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Structural basis for methyl-donor-dependent and sequence-specific binding to tRNA substrates by knotted methyltransferase TrmD.
Proc.Natl.Acad.Sci.USA, 112, 2015

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