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3MJI
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BU of 3mji by Molmil
Activation of catalytic cysteine without a base in a Mutant Penicillin Acylase Precursor
Descriptor: Penicillin acylase
Authors:Pathak, M.C, Suresh, C.G, Dodson, G.G, Murshudov, G.N.
Deposit date:2010-04-12
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activation of catalytic cysteine without a base in a Mutant Penicillin Acylase Precursor
To be Published
4UHC
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BU of 4uhc by Molmil
Structural studies of a thermophilic esterase from Thermogutta terrifontis (Native)
Descriptor: CHLORIDE ION, ESTERASE
Authors:Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
Deposit date:2015-03-24
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
3DAY
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BU of 3day by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ...
Authors:Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
6ACJ
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BU of 6acj by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-bound conformation 2
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
3MKF
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BU of 3mkf by Molmil
SHV-1 beta-lactamase complex with GB0301
Descriptor: ({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:van den Akker, F, Ke, W.
Deposit date:2010-04-14
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
3MND
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BU of 3mnd by Molmil
Crystallographic analysis of the cystosolic cu/zn Superoxide dismutase from taenia solium
Descriptor: COPPER (II) ION, GLYCEROL, Superoxide dismutase [Cu-Zn], ...
Authors:Hernandez-Santoyo, A, Rodriguez-Romero, A.
Deposit date:2010-04-21
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Cu / Zn superoxide dismutase from Taenia solium reveals metal-mediated self-assembly
Febs J., 278, 2011
3DWJ
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BU of 3dwj by Molmil
Heme-proximal W188H mutant of inducible nitric oxide synthase
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, AMMONIUM ION, Nitric oxide synthase, ...
Authors:Tejero, J, Biswas, A, Wang, Z.-Q, Haque, M.M, Hemann, C, Zweier, J.L, Page, R.C, Misra, S, Stuehr, D.J.
Deposit date:2008-07-22
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Stabilization and Characterization of a Heme-Oxy Reaction Intermediate in Inducible Nitric-oxide Synthase
J.Biol.Chem., 283, 2008
4KRW
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BU of 4krw by Molmil
Novel re-arrangement of an RsmA/cSRa family protein to create a structurally distinct new RNA-binding family member
Descriptor: IODIDE ION, RsmN, a RNA-binding protein of Regulator of Secondary Metabolism
Authors:Li, C.
Deposit date:2013-05-17
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Rearrangement in an RsmA/CsrA Ortholog of Pseudomonas aeruginosa Creates a Dimeric RNA-Binding Protein, RsmN.
Structure, 21, 2013
3MNJ
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BU of 3mnj by Molmil
Human Carbonic Anhydrase II Mutant K170E
Descriptor: Carbonic anhydrase 2, SODIUM ION, ZINC ION
Authors:Domsic, J.F, McKenna, R.
Deposit date:2010-04-21
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
3MNU
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BU of 3mnu by Molmil
Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2010-04-22
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.
Bioorg.Med.Chem.Lett., 20, 2010
3DBP
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BU of 3dbp by Molmil
Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 6-NH2-UMP
Descriptor: 6-AMINOURIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase, SULFATE ION
Authors:Liu, Y, To, T, Bello, A.M, Kotra, L.P, Pai, E.F.
Deposit date:2008-06-02
Release date:2009-06-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 6-NH2-UMP
To be Published
4KLW
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BU of 4klw by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with 2-(aminocarbonyl)benzoate
Descriptor: 1,2-ETHANEDIOL, 2-carbamoylbenzoic acid, SULFATE ION, ...
Authors:Majorek, K.A, Porebski, P.J, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-05-07
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
3DC3
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BU of 3dc3 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3MKZ
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BU of 3mkz by Molmil
Structure of SopB(155-272)-18mer complex, P21 form
Descriptor: CALCIUM ION, DNA (5'-D(*CP*TP*GP*GP*GP*AP*CP*CP*AP*TP*GP*GP*TP*CP*CP*CP*AP*G)-3'), Protein sopB
Authors:Schumacher, M.A.
Deposit date:2010-04-15
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Insight into F plasmid DNA segregation revealed by structures of SopB and SopB-DNA complexes.
Nucleic Acids Res., 38, 2010
3DXM
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BU of 3dxm by Molmil
Structure of Bos taurus Arp2/3 Complex with Bound Inhibitor CK0993548
Descriptor: (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
Authors:Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D.
Deposit date:2008-07-24
Release date:2009-07-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Characterization of two classes of small molecule inhibitors of Arp2/3 complex
Nature, 460, 2009
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3MO5
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BU of 3mo5 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
Descriptor: 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
Authors:Chang, Y, Horton, J.R, Cheng, X.
Deposit date:2010-04-22
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
4KTJ
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BU of 4ktj by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(3-amino-1H-pyrazol-4-yl)phenol
Descriptor: 4-(3-amino-1H-pyrazol-4-yl)phenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hudson, S.A.
Deposit date:2013-05-20
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
3DDR
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BU of 3ddr by Molmil
Structure of the Serratia marcescens hemophore receptor HasR-Ile671Gly mutant in complex with its hemophore HasA and heme
Descriptor: GLYCEROL, HasR protein, Hemophore HasA, ...
Authors:Krieg, S, Diederichs, K.
Deposit date:2008-06-06
Release date:2009-01-20
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Heme uptake across the outer membrane as revealed by crystal structures of the receptor-hemophore complex.
Proc.Natl.Acad.Sci.USA, 106, 2009
4UNB
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BU of 4unb by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 6 DAYS INCUBATION IN 5MM MN (STATE 5)
Descriptor: 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*C)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*A)-3', ...
Authors:Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G.
Deposit date:2014-05-26
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
3DEF
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BU of 3def by Molmil
Crystal structure of Toc33 from Arabidopsis thaliana, dimerization deficient mutant R130A
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, T7I23.11 protein
Authors:Koenig, P, Schleiff, E, Sinning, I, Tews, I.
Deposit date:2008-06-10
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:On the significance of Toc-GTPase homodimers
J.Biol.Chem., 283, 2008
4KMP
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BU of 4kmp by Molmil
Structure of XIAP-BIR3 and inhibitor
Descriptor: (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide], E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Li, X, Wang, J, Condon, S.M, Shi, Y.
Deposit date:2013-05-08
Release date:2014-05-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of XIAP-BIR3 and inhibitor
To be Published
3DYJ
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BU of 3dyj by Molmil
Crystal Structure of the R11R12 Domains of Talin
Descriptor: TALIN-1
Authors:Gingras, A.R, Joyce, M.G, Critchley, D.R, Emsley, J.
Deposit date:2008-07-28
Release date:2009-01-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural determinants of integrin binding to the talin rod
J.Biol.Chem., 284, 2009
3MLM
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BU of 3mlm by Molmil
Crystal structure of Bn IV in complex with myristic acid: A Lys49 myotoxic phospholipase A2 from Bothrops neuwiedi venom
Descriptor: BN-IV Lys-49 Phospholipase A2, MYRISTIC ACID, SULFATE ION
Authors:Delatorre, P, Rocha, B.A.M, Cavada, B.S, Toyama, M.H, Toyama, D, Gadelha, C.A.A.
Deposit date:2010-04-17
Release date:2011-05-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of Bn IV in complex with myristic acid: a Lys49 myotoxic phospholipase A2 from Bothrops neuwiedi venom.
Biochimie, 93, 2011
4KN4
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BU of 4kn4 by Molmil
X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2b
Descriptor: Benzoxazinorifamycin-2b, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Murakami, K.S.
Deposit date:2013-05-08
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.965 Å)
Cite:X-ray Crystal Structures of the Escherichia coli RNA Polymerase in Complex with Benzoxazinorifamycins.
J.Med.Chem., 56, 2013

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