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PDB: 40736 results

4Z7Z
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BU of 4z7z by Molmil
Structure of the enzyme-product complex resulting from TDG action on a GT mismatch in the presence of excess base
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ...
Authors:Pozharski, E, Malik, S.S, Drohat, A.C.
Deposit date:2015-04-08
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
7REE
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BU of 7ree by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059
Descriptor: Tyrosine-protein kinase JAK2, [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-12
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059.
To Be Published
7RSI
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BU of 7rsi by Molmil
The cryo-EM map of KIF18A bound to KIFBP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KIF-binding protein, Kinesin-like protein KIF18A, ...
Authors:Tan, Z, Solon, A.L, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A.
Deposit date:2021-08-11
Release date:2021-09-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding.
Sci Adv, 7, 2021
7RSQ
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BU of 7rsq by Molmil
Cryo-EM structure of KIFBP core
Descriptor: KIF-binding protein
Authors:Solon, A.L, Tan, Z, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A.
Deposit date:2021-08-11
Release date:2021-09-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding.
Sci Adv, 7, 2021
4ZHE
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BU of 4zhe by Molmil
Crystal structure of the SeMet substituted Topless related protein 2 (TPR2) N-terminal domain (1-209) from rice
Descriptor: ASPR2 protein
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
8VJ4
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BU of 8vj4 by Molmil
X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
4Z6H
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BU of 4z6h by Molmil
Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand
Descriptor: 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9
Authors:Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S.
Deposit date:2015-04-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
6Z7C
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BU of 6z7c by Molmil
Variant Surface Glycoprotein VSGsur mutant H122A
Descriptor: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
4Z6N
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BU of 4z6n by Molmil
Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.52 Ang resolution
Descriptor: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
6ZBV
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BU of 6zbv by Molmil
Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7
Descriptor: Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone
Authors:Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P.
Deposit date:2020-06-09
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
6Z7E
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BU of 6z7e by Molmil
Variant Surface Glycoprotein VSGsur mutant H122A soaked in 7.7 mM suramin
Descriptor: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.663 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
4Z6T
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BU of 4z6t by Molmil
Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.50 Ang resolution
Descriptor: 3,4-dihydroxybenzenesulfonic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
4Z8Q
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BU of 4z8q by Molmil
CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 COMPLEX, SELENOMETHIONINE SUBSTITUTED.
Descriptor: AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2022-03-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
6Z7D
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BU of 6z7d by Molmil
Variant Surface Glycoprotein VSGsur mutant H122A soaked in 0.77 mM Suramin.
Descriptor: Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
4Z9R
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BU of 4z9r by Molmil
Crystal structure of PfaD from Shewanella oneidensis in complex with NAD+ determined by in-situ diffraction.
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Omega-3 polyunsaturated fatty acid synthase subunit PfaD
Authors:Baker, G.E, Race, P.R.
Deposit date:2015-04-11
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of PfaD from Shewanella oneidensis in complex with NAD+ determined by in-situ diffraction.
To Be Published
6Z79
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BU of 6z79 by Molmil
Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks.
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
7RN6
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BU of 7rn6 by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594
Descriptor: 1,2-ETHANEDIOL, 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-29
Release date:2021-11-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594
To Be Published
4ZF7
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BU of 4zf7 by Molmil
Crystal structure of ferret interleukin-2
Descriptor: DI(HYDROXYETHYL)ETHER, Interleukin 2, PENTAETHYLENE GLYCOL, ...
Authors:Ren, B, Newman, J, McKinstry, W.J, Adams, T.E.
Deposit date:2015-04-21
Release date:2015-11-04
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Structural and functional characterisation of ferret interleukin-2.
Dev.Comp.Immunol., 55, 2015
9BC6
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BU of 9bc6 by Molmil
HCN1 M305L with propofol
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Kim, E.D, Nimigean, C.M.
Deposit date:2024-04-07
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants
Nature, 2024
6Z15
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BU of 6z15 by Molmil
Human wtSTING in complex with 3',3'-c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-05-12
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
9BC7
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BU of 9bc7 by Molmil
HCN1 M305L holo
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Kim, E.D, Nimigean, C.M.
Deposit date:2024-04-08
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants
Nature, 2024
8VJ8
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BU of 8vj8 by Molmil
X-ray Counterpart to Neutron Structure of Reduced Trp161Phe MnSOD
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
8VJ5
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BU of 8vj5 by Molmil
Peroxide-Soaked MnSOD
Descriptor: HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O.
Deposit date:2024-01-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Biorxiv, 2024
3TD8
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BU of 3td8 by Molmil
Structural Analysis of Pneumocystis carinii Dihydrofolate Reductase Complex with NADPH and 2,4-diamino-5-methyl-6-[2'-(4-carboxy-1-pentynyl)-5'-methoxybenzyl]pyrido[2,3-d]pyrimidine
Descriptor: 6-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl}hex-5-ynoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Pace, J, Stewart, E.
Deposit date:2011-08-10
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of Pneumocystis cariniidihydrofolate reductase complexed with NADPH and 2,4-diamino-6-[2-(5-carboxypent-1-yn-1-yl)-5-methoxybenzyl]-5-methylpyrido[2,3-d]pyrimidine.
Acta Crystallogr.,Sect.F, 68, 2012
7RBW
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BU of 7rbw by Molmil
Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog)
Descriptor: BILIVERDINE IX ALPHA, Biliverdin bindin serpin
Authors:Fedorov, E, Manoilov, K.Y, Verkhusha, V, Almo, S.C, Ghosh, A.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily.
J.Mol.Biol., 434, 2021

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数据于2024-07-31公开中

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