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5V3N
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BU of 5v3n by Molmil
Structure of S. cerevisiae Ulp2-Tof2-Csm1 complex
Descriptor: Monopolin complex subunit CSM1, Ulp2p,Topoisomerase 1-associated factor 2 chimera
Authors:SIngh, N, Corbett, K.D.
Deposit date:2017-03-07
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Recruitment of a SUMO isopeptidase to rDNA stabilizes silencing complexes by opposing SUMO targeted ubiquitin ligase activity.
Genes Dev., 31, 2017
4RF2
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BU of 4rf2 by Molmil
Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RF4
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BU of 4rf4 by Molmil
Crystal structure of ketoreductase from Lactobacillus kefir
Descriptor: MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase
Authors:Tang, Y, Tibrewal, N, Cascio, D.
Deposit date:2014-09-24
Release date:2015-09-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Origins of stereoselectivity in evolved ketoreductases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4IRE
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BU of 4ire by Molmil
Crystal structure of GLIC with mutations at the loop C region
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, OXALATE ION, ...
Authors:Chen, Q, Pan, J, Liang, Y.H, Xu, Y, Tang, P.
Deposit date:2013-01-14
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Signal transduction pathways in the pentameric ligand-gated ion channels.
Plos One, 8, 2013
7SEL
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BU of 7sel by Molmil
E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
Descriptor: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
Authors:Payandeh, J, Koth, C.M, Verma, V.A.
Deposit date:2021-09-30
Release date:2022-03-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.978 Å)
Cite:Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
7LQ7
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BU of 7lq7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-13
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
3COH
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BU of 3coh by Molmil
Crystal structure of Aurora-A in complex with a pentacyclic inhibitor
Descriptor: 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Raswson, T.E, Cochran, A.G.
Deposit date:2008-03-28
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
3H10
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BU of 3h10 by Molmil
Aurora A inhibitor complex
Descriptor: 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H0Z
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BU of 3h0z by Molmil
Aurora A in complex with a bisanilinopyrimidine
Descriptor: 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H0Y
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BU of 3h0y by Molmil
Aurora A in complex with a bisanilinopyrimidine
Descriptor: 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8WAM
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BU of 8wam by Molmil
Cryo-EM structure of the ABCG25 E232Q mutant bound to ATP and Magnesium
Descriptor: ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-07
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WD6
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BU of 8wd6 by Molmil
Cryo-EM structure of the ABCG25
Descriptor: ABC transporter G family member 25
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-14
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
3IMX
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BU of 3imx by Molmil
Crystal Structure of human glucokinase in complex with a synthetic activator
Descriptor: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2009-08-11
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
8IPT
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BU of 8ipt by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the occluded ATP bound state
Descriptor: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPS
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BU of 8ips by Molmil
Cryo-EM structure of heme transporter CydDC from Escherichia coli in the inward facing heme loading state
Descriptor: ABC transporter, CydDC cysteine exporter (CydDC-E) family, permease/ATP-binding protein CydC, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPR
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BU of 8ipr by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the outward facing ATP bound state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, MAGNESIUM ION, ...
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8IPQ
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BU of 8ipq by Molmil
Cryo-EM structure of heme transporter CydDC from Mycobacterium smegmatis in the inward facing apo state
Descriptor: Component linked with the assembly of cytochrome' ABC transporter ATP-binding protein CydC, Transmembrane ATP-binding protein ABC transporter cydD
Authors:Zhu, C, Li, J.
Deposit date:2023-03-14
Release date:2023-06-14
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of a prokaryotic heme transporter CydDC.
Protein Cell, 14, 2023
8WBX
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BU of 8wbx by Molmil
Cryo-EM structure of the ABCG25 bound to ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-10
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WBA
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BU of 8wba by Molmil
Cryo-EM structure of the ABCG25 bound to CHS
Descriptor: ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-09
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WW2
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BU of 8ww2 by Molmil
GPR3/Gs complex
Descriptor: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Xiong, Y.
Deposit date:2023-10-24
Release date:2024-02-14
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
8I4Z
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BU of 8i4z by Molmil
CalA3 with hydrolysis product
Descriptor: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I
Authors:Wang, J, Wang, Z.
Deposit date:2023-01-21
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
8I4Y
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BU of 8i4y by Molmil
CalA3 complex structure with amidation product
Descriptor: 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I
Authors:Wang, J, Wang, Z.
Deposit date:2023-01-21
Release date:2023-02-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
5HQP
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BU of 5hqp by Molmil
Crystal structure of the ERp44-peroxiredoxin 4 complex
Descriptor: Endoplasmic reticulum resident protein 44, Peroxiredoxin-4
Authors:Yang, K, Li, D.F, Wang, X, Wang, C.C.
Deposit date:2016-01-22
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the ERp44-Peroxiredoxin 4 Complex Reveals the Molecular Mechanisms of Thiol-Mediated Protein Retention.
Structure, 24, 2016
5K4L
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BU of 5k4l by Molmil
Crystal structure of KDM5A in complex with a naphthyridone inhibitor
Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, Unknown Peptide, ...
Authors:Kiefer, J.R, Vinogradova, M.V.
Deposit date:2016-05-20
Release date:2016-08-10
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (3.179 Å)
Cite:Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016

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数据于2024-07-24公开中

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