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3PRL
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BU of 3prl by Molmil
Crystal structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Bacillus halodurans C-125
Descriptor: NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION
Authors:Malashkevich, V.N, Toro, R, Seidel, R, Garrett, S, Foti, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2010-11-29
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of NADP-dependent glyceraldehyde-3-phosphate dehydrogenase from Bacillus halodurans C-125
To be Published
7RN5
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BU of 7rn5 by Molmil
Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
Descriptor: ACETYL GROUP, MAGNESIUM ION, PYROPHOSPHATE, ...
Authors:Hruza, A, Strickland, C.L.
Deposit date:2021-07-29
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen.
ACS Med Chem Lett, 12, 2021
3C0K
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BU of 3c0k by Molmil
Crystal Structure of a ribosomal RNA methyltranferase
Descriptor: UPF0064 protein yccW
Authors:Subramanian, S, Jayaraman, S, Bujnicki, J.
Deposit date:2008-01-21
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the Escherichia coli 23S rRNA:m5C methyltransferase RlmI (YccW) reveals evolutionary links between RNA modification enzymes
J.Mol.Biol., 383, 2008
6SNE
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BU of 6sne by Molmil
crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LN01 heavy chain, ...
Authors:Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W.
Deposit date:2019-08-23
Release date:2019-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Cell Host Microbe, 26, 2019
3PT5
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BU of 3pt5 by Molmil
Crystal structure of NanS
Descriptor: NANS (YJHS), A 9-O-acetyl N-acetylneuraminic acid esterase
Authors:Ruane, K.M, Rangarajan, E.S, Proteau, A, Schrag, J.D, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-12-02
Release date:2011-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and enzymatic characterization of NanS (YjhS), a 9-O-Acetyl N-acetylneuraminic acid esterase from Escherichia coli O157:H7.
Protein Sci., 20, 2011
3CCT
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BU of 3cct by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CCZ
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BU of 3ccz by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CD5
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BU of 3cd5 by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3PXW
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BU of 3pxw by Molmil
Crystal Structure of Ferrous NO Adduct of MauG in Complex with Pre-Methylamine Dehydrogenase
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, ...
Authors:Yukl, E.T, Goblirsch, B.R, Wilmot, C.M.
Deposit date:2010-12-10
Release date:2011-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structures of CO and NO Adducts of MauG in Complex with Pre-Methylamine Dehydrogenase: Implications for the Mechanism of Dioxygen Activation.
Biochemistry, 50, 2011
3C8R
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BU of 3c8r by Molmil
Contributions of all 20 amino acids at site 96 to stability and structure of T4 lysozyme
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
Authors:Mooers, B.H.M.
Deposit date:2008-02-13
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
3PZL
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BU of 3pzl by Molmil
The crystal structure of agmatine ureohydrolase of Thermoplasma volcanium
Descriptor: Agmatine ureohydrolase, MANGANESE (II) ION
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-12-14
Release date:2011-01-19
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of agmatine ureohydrolase of Thermoplasma volcanium
To be Published
6BVD
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BU of 6bvd by Molmil
Structure of Botulinum Neurotoxin Serotype HA Light Chain
Descriptor: ACETATE ION, CALCIUM ION, Light Chain, ...
Authors:Jin, R, Lam, K.
Deposit date:2017-12-12
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and biochemical characterization of the protease domain of the mosaic botulinum neurotoxin type HA.
Pathog Dis, 76, 2018
3BND
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BU of 3bnd by Molmil
Lipoxygenase-1 (Soybean), I553V Mutant
Descriptor: FE (III) ION, Seed lipoxygenase-1
Authors:Tomchick, D.R.
Deposit date:2007-12-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enzyme structure and dynamics affect hydrogen tunneling: the impact of a remote side chain (I553) in soybean lipoxygenase-1.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5OP9
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BU of 5op9 by Molmil
The crystal structure of P450 CYP121 in complex with lead compound 7e
Descriptor: 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-08-09
Release date:2018-03-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.455 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
3CAQ
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BU of 3caq by Molmil
Crystal structure of 5beta-reductase (AKR1D1) in complex with NADPH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-oxo-5-beta-steroid 4-dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Breton, R.
Deposit date:2008-02-20
Release date:2008-12-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Human Delta4-3-Ketosteroid 5beta-Reductase (AKR1D1) Reveal the Presence of an Alternative Binding Site Responsible for Substrate Inhibition (dagger) (,) (double dagger).
Biochemistry, 47, 2008
1O6L
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BU of 1o6l by Molmil
Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide
Descriptor: GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D.
Deposit date:2002-10-08
Release date:2002-11-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp
Nat.Struct.Biol., 9, 2002
1O6K
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BU of 1o6k by Molmil
Structure of activated form of PKB kinase domain S474D with GSK3 peptide and AMP-PNP
Descriptor: GLYCOGEN SYNTHASE KINASE-3 BETA, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Yang, J, Cron, P, Good, V.M, Thompson, V, Hemmings, B.A, Barford, D.
Deposit date:2002-10-08
Release date:2002-11-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of an Activated Akt/Protein Kinase B Ternary Complex with Gsk-3 Peptide and AMP-Pnp
Nat.Struct.Biol., 9, 2002
3PTQ
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BU of 3ptq by Molmil
The crystal structure of rice (Oryza sativa L.) Os4BGlu12 with dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
Descriptor: 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, Beta-glucosidase Os4BGlu12, GLYCEROL, ...
Authors:Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R.
Deposit date:2010-12-03
Release date:2011-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity
Arch.Biochem.Biophys., 510, 2011
6TCH
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BU of 6tch by Molmil
Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2019-11-06
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Nat Commun, 11, 2020
3BVX
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BU of 3bvx by Molmil
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-(alpha-D-mannopyranosyl)- (1->3)-[(alpha-D-mannopyranosyl)-(1->6)-(alpha-D-mannopyranosyl)-(1->6)]-beta-D-mannopyranoside
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]methyl beta-D-mannopyranoside, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-07
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
5OTV
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BU of 5otv by Molmil
Extracellular domain of GLP-1 receptor in complex with GLP-1 variant Ala8Cyc/Thr11Hcs
Descriptor: Glucagon, Glucagon-like peptide 1 receptor
Authors:Mortensen, S.
Deposit date:2017-08-22
Release date:2018-07-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:alpha-Helix or beta-Turn? An Investigation into N-Terminally Constrained Analogues of Glucagon-like Peptide 1 (GLP-1) and Exendin-4.
Biochemistry, 57, 2018
5OQM
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BU of 5oqm by Molmil
STRUCTURE OF YEAST TRANSCRIPTION PRE-INITIATION COMPLEX WITH TFIIH AND CORE MEDIATOR
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Schilbach, S, Hantsche, M, Tegunov, D, Dienemann, C, Wigge, C, Urlaub, H, Cramer, P.
Deposit date:2017-08-13
Release date:2018-05-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structures of transcription pre-initiation complex with TFIIH and Mediator.
Nature, 551, 2017
3PNM
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BU of 3pnm by Molmil
Crystal Structure of E.coli Dha kinase DhaK (H56A)
Descriptor: PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit dhaK
Authors:Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-11-19
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PZB
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BU of 3pzb by Molmil
Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase complex with NADP and D-2,3-Diaminopropionate
Descriptor: 1,2-ETHANEDIOL, 3-amino-D-alanine, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2010-12-14
Release date:2012-01-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
6CAY
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BU of 6cay by Molmil
Crystal structure of the first StART-like domain of Ysp2p/Lam2p in its apo and ergosterol-bound state.
Descriptor: ERGOSTEROL, Sterol-binding protein
Authors:Horenkamp, F.A, Valverde, D.P, Reinisch, K.M.
Deposit date:2018-02-01
Release date:2018-02-28
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for sterol transport by StART-like lipid transfer domains.
EMBO J., 37, 2018

223790

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