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7RP2
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BU of 7rp2 by Molmil
Crystal structure of Kas G12C in complex with 2H11 CLAMP
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ...
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2021-08-03
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP4
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BU of 7rp4 by Molmil
Crystal structure of KRAS G12C in complex with GNE-1952
Descriptor: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2021-08-03
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
3DLW
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BU of 3dlw by Molmil
Antichymotrypsin
Descriptor: Alpha-1-antichymotrypsin
Authors:Feil, S.C.
Deposit date:2008-06-29
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and characterization of a misfolded monomeric serpin formed at physiological temperature
J.Mol.Biol., 403, 2010
2ONO
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BU of 2ono by Molmil
Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned
Descriptor: Aldehyde dehydrogenase
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2ONM
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BU of 2onm by Molmil
Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2ONN
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BU of 2onn by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, Apo form
Descriptor: Aldehyde dehydrogenase
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
3E65
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BU of 3e65 by Molmil
Murine INOS dimer with HEME, pterin and inhibitor AR-C120011
Descriptor: 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D.
Deposit date:2008-08-14
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3DNF
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BU of 3dnf by Molmil
Structure of (E)-4-Hydroxy-3-methyl-but-2-enyl Diphosphate Reductase, the Terminal Enzyme of the Non-Mevalonate Pathway
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, GLYCEROL
Authors:Rekittke, I.
Deposit date:2008-07-02
Release date:2008-12-30
Last modified:2020-09-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of (E)-4-Hydroxy-3-methyl-but-2-enyl Diphosphate Reductase, the Terminal Enzyme of the Non-Mevalonate Pathway.
J.Am.Chem.Soc., 2008
2PEF
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BU of 2pef by Molmil
Crystal Structure of a Thermophilic Serpin, Tengpin, in the Latent State
Descriptor: Serine protease inhibitor
Authors:Zhang, Q.W, Buckle, A.M, Whisstock, J.C.
Deposit date:2007-04-03
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The N terminus of the serpin, tengpin, functions to trap the metastable native state.
Embo Rep., 8, 2007
3PSZ
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BU of 3psz by Molmil
Crystal Structure of AhQnr, the Qnr protein from Aeromonas hydrophila (P21212 crystal form)
Descriptor: ACETATE ION, PHOSPHATE ION, Qnr
Authors:Xiong, X, Spencer, J.
Deposit date:2010-12-02
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into quinolone antibiotic resistance mediated by pentapeptide repeat proteins: conserved surface loops direct the activity of a Qnr protein from a Gram-negative bacterium
Nucleic Acids Res., 2011
3PSS
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BU of 3pss by Molmil
Crystal Structure of AhQnr, the Qnr protein from Aeromonas hydrophila (P21 crystal form)
Descriptor: Qnr
Authors:Xiong, X, Spencer, J.
Deposit date:2010-12-02
Release date:2011-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into quinolone antibiotic resistance mediated by pentapeptide repeat proteins: conserved surface loops direct the activity of a Qnr protein from a Gram-negative bacterium
Nucleic Acids Res., 2011
3Q6V
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BU of 3q6v by Molmil
Crystal Structure of Serratia fonticola Sfh-I: glycerol complex
Descriptor: Beta-lactamase, GLYCEROL, ZINC ION
Authors:Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
Deposit date:2011-01-03
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
J.Mol.Biol., 411, 2011
3OZX
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BU of 3ozx by Molmil
Crystal structure of ABCE1 of Sulfolubus solfataricus (-FeS domain)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Barthelme, D, Tampe, R.
Deposit date:2010-09-27
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ribosome Recycling in Archaea A Mechanistic Link between FeS Cluster Biosynthesis and Conformational Switch of Twin-ATPase ABCE1
To be Published
2ONP
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BU of 2onp by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ...
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2R6W
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BU of 2r6w by Molmil
Estrogen receptor alpha ligand-binding domain complexed to a SERM
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6D1Z
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BU of 6d1z by Molmil
Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor
Descriptor: 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide, GLYCEROL, ...
Authors:Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
3RFR
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BU of 3rfr by Molmil
Crystal Structure of particulate methane monooxygenase (pMMO) from Methylocystis sp. strain M
Descriptor: COPPER (II) ION, DINUCLEAR COPPER ION, PmoA, ...
Authors:Smith, S.M, Rosenzweig, A.C.
Deposit date:2011-04-06
Release date:2011-11-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal Structure and Characterization of Particulate Methane Monooxygenase from Methylocystis species Strain M.
Biochemistry, 50, 2011
3QTE
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BU of 3qte by Molmil
Crystal structure of human alpha-defensin 6 (H27W mutant)
Descriptor: CHLORIDE ION, Defensin-6, GLYCEROL
Authors:Pazgier, M, Lu, W.
Deposit date:2011-02-22
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Human alpha-defensin 6 promotes mucosal innate immunity through self-assembled peptide nanonets.
Science, 337, 2012
3RGB
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BU of 3rgb by Molmil
Crystal structure of particulate methane monooxygenase from Methylococcus capsulatus (Bath)
Descriptor: COPPER (II) ION, DINUCLEAR COPPER ION, Methane monooxygenase subunit A2, ...
Authors:Smith, S.M, Rosenzweig, A.C.
Deposit date:2011-04-08
Release date:2011-11-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure and Characterization of Particulate Methane Monooxygenase from Methylocystis species Strain M.
Biochemistry, 50, 2011
3SD9
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BU of 3sd9 by Molmil
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
Descriptor: Beta-lactamase, ZINC ION
Authors:Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
Deposit date:2011-06-08
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases
To be Published, 2011
7LT2
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BU of 7lt2 by Molmil
Structure of a dsRNA-sensing cGAS-like receptor from the beetle Tribolium castaneum
Descriptor: MANGANESE (II) ION, Mab-21 domain-containing protein
Authors:Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
Deposit date:2021-02-18
Release date:2021-07-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7LT1
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BU of 7lt1 by Molmil
Structure of the cGAS-like receptor human MB21D2
Descriptor: Protein MB21D2, SULFATE ION
Authors:Morehouse, B.R, Slavik, K.M, Kranzusch, P.J.
Deposit date:2021-02-18
Release date:2021-07-21
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7MWY
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BU of 7mwy by Molmil
Structure of the drosophila STING cyclic dinucleotide binding domain
Descriptor: STING
Authors:Slavik, K.M, Ragucci, A.E, Kranzusch, P.J.
Deposit date:2021-05-17
Release date:2021-07-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7MWZ
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BU of 7mwz by Molmil
Structure of drosophila STING in complex with 3'2'-cGAMP
Descriptor: 3'2'-cGAMP, STING
Authors:Slavik, K.M, Ragucci, A.E, Kranzusch, P.J.
Deposit date:2021-05-17
Release date:2021-07-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7KQD
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BU of 7kqd by Molmil
Prefusion RSV F Bound to RV521
Descriptor: 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one, Fusion glycoprotein F0, SULFATE ION
Authors:McLellan, J.S.
Deposit date:2020-11-14
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion.
J.Med.Chem., 64, 2021

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