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5OH2
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BU of 5oh2 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pyrrolidin-2-one (Butyrolactam)
Descriptor: Cereblon isoform 4, ZINC ION, pyrrolidin-2-one
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OHB
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BU of 5ohb by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Piperidin-2-one (Valerolactam)
Descriptor: Cereblon isoform 4, ZINC ION, piperidin-2-one
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
3DBK
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BU of 3dbk by Molmil
Pseudomonas aeruginosa elastase with phosphoramidon
Descriptor: CALCIUM ION, Elastase, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ...
Authors:McKay, D.B, Overgaard, M.T.
Deposit date:2008-06-01
Release date:2009-07-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the Elastase of Pseudomonas aeruginosa Complexed with Phosphoramidon
To be Published
1O9O
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BU of 1o9o by Molmil
Crystal structure of the S131A mutant of Malonamidase E2 complexed with malonamate from Bradyrhizobium japonicum
Descriptor: 3-AMINO-3-OXOPROPANOIC ACID, MALONAMIDASE E2
Authors:Shin, S, Oh, B.-H.
Deposit date:2002-12-18
Release date:2003-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of a Novel Ser-Cisser-Lys Catalytic Triad in Comparison with the Classical Ser-His-Asp Triad
J.Biol.Chem., 278, 2003
4PEX
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BU of 4pex by Molmil
Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with glucose
Descriptor: 1,2-ETHANEDIOL, Putative secreted protein, beta-D-glucopyranose
Authors:Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G.
Deposit date:2014-04-25
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
3D9K
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BU of 3d9k by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
Descriptor: CTD-PEPTIDE, RNA-binding protein 16, SULFATE ION
Authors:Becker, R, Loll, B, Meinhart, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
7B4J
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BU of 7b4j by Molmil
Thermostable omega transaminase PjTA-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of enantiopure bulky amines
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, SUCCINIC ACID
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2020-12-02
Release date:2021-09-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
7AFZ
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BU of 7afz by Molmil
L1 metallo-b-lactamase with compound EBL-1306
Descriptor: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J, Brem, J.
Deposit date:2020-09-21
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
3VS7
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BU of 3vs7 by Molmil
Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Descriptor: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Honda, K, Niwa, H, Toyama, M, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
1NY6
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BU of 1ny6 by Molmil
Crystal structure of sigm54 activator (AAA+ ATPase) in the active state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, transcriptional regulator (NtrC family)
Authors:Lee, S.Y, de la Torre, A, Kustu, S, Nixon, B.T, Wemmer, D.E.
Deposit date:2003-02-11
Release date:2003-11-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Regulation of the transcriptional activator NtrC1: structural studies of the regulatory and AAA+ ATPase domains
Genes Dev., 17, 2003
5OH1
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BU of 5oh1 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Aminoglutethimide
Descriptor: (3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione, Cereblon isoform 4, S-Thalidomide, ...
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OH9
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BU of 5oh9 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thiazolidine-2,4-dione
Descriptor: 1,3-thiazole-2,4-dione, Cereblon isoform 4, ZINC ION
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OH3
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BU of 5oh3 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Ethosuximide
Descriptor: (3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione, Cereblon isoform 4, ZINC ION
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5AC4
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BU of 5ac4 by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, N-ACETYL-BETA-D-GLUCOSAMINIDASE
Authors:Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
Deposit date:2015-08-11
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans.
J. Biol. Chem., 290, 2015
3D9O
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BU of 3d9o by Molmil
Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II
Descriptor: AMMONIUM ION, CTD-PEPTIDE, RNA-binding protein 16, ...
Authors:Becker, R, Loll, B, Meinhart, A.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II.
J.Biol.Chem., 283, 2008
5OHA
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BU of 5oha by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with 2-Thiohydantoin
Descriptor: 2-sulfanylideneimidazol-4-one, Cereblon isoform 4, ZINC ION
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OH7
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BU of 5oh7 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Imidazolidine-2,4-dione (Hydantoin)
Descriptor: Cereblon isoform 4, ZINC ION, imidazolidine-2,4-dione
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
3VFZ
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BU of 3vfz by Molmil
Crystal structure of -35 promoter binding domain of SigD of Mycobacterium tuberculosis
Descriptor: Probable RNA polymerase sigma-D factor
Authors:Jaiswal, R.K, Thakur, K.G, Gopal, B.
Deposit date:2012-01-10
Release date:2013-02-13
Last modified:2013-10-09
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Mycobacterium tuberculosis RsdA provides a conformational rationale for selective regulation of sigma-factor activity by proteolysis
Nucleic Acids Res., 41, 2013
4GS8
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BU of 4gs8 by Molmil
Structure analysis of cysteine free insulin degrading enzyme (ide) with compound bdm43079 [{[(s)-2-(1h-imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid
Descriptor: Insulin-degrading enzyme, N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide, ZINC ION
Authors:Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
Deposit date:2012-08-27
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-beta hydrolysis.
Eur.J.Med.Chem., 79, 2014
5A5G
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BU of 5a5g by Molmil
Crystal structure of FTHFS2 from T.acetoxydans Re1
Descriptor: DI(HYDROXYETHYL)ETHER, FORMATE--TETRAHYDROFOLATE LIGASE, GLYCEROL, ...
Authors:Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M.
Deposit date:2015-06-17
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1
To be Published
4GWS
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BU of 4gws by Molmil
Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase with Filled Central Cavity
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Hydrophobic Central Cavity in Fructose-1,6-bisphosphatase is Essential for the Synergism in AMP/Fructose 2,6-bisphosphate Inhibition
To be Published
4GYJ
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BU of 4gyj by Molmil
Crystal structure of mutant (D318N) bacillus subtilis family 3 glycoside hydrolase (nagz) in complex with glcnac-murnac (space group P1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, Uncharacterized lipoprotein ybbD
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-09-05
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
7SLN
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BU of 7sln by Molmil
[U:Ag+:U--pH 10.5] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.02 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
7SLJ
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BU of 7slj by Molmil
[U:Ag+:U--pH 8.5] Metal-mediated DNA base pair in tensegrity triangle
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
Deposit date:2021-10-24
Release date:2022-10-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.16 Å)
Cite:Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
6VL1
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BU of 6vl1 by Molmil
Crystal Structure of the N-prenyltransferase DabA in Complex with NGG and Mg2+
Descriptor: DabA, MAGNESIUM ION, N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid
Authors:Chekan, J.R, Noel, J.P, Moore, B.S.
Deposit date:2020-01-22
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Algal neurotoxin biosynthesis repurposes the terpene cyclase structural fold into anN-prenyltransferase.
Proc.Natl.Acad.Sci.USA, 117, 2020

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