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7BU6
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BU of 7bu6 by Molmil
Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-04
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
4JS5
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BU of 4js5 by Molmil
Crystal structure of E. coli Exonuclease I in complex with a dT13 oligonucleotide
Descriptor: Exodeoxyribonuclease I, SULFATE ION, dT13 oligonucleotide
Authors:Bell, C.E.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion.
Nucleic Acids Res., 41, 2013
4HK9
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BU of 4hk9 by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
Descriptor: Endo-1,4-beta-xylanase 2, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
7BSP
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BU of 7bsp by Molmil
Cryo-EM structure of a human ATP11C-CDC50A flippase in E1-AMPPCP state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP11C, ...
Authors:Abe, K, Nishizawa, T, Nakanishi, H.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Transport Cycle of Plasma Membrane Flippase ATP11C by Cryo-EM.
Cell Rep, 32, 2020
6XIJ
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BU of 6xij by Molmil
Escherichia coli transcription-translation complex A (TTC-A) containing an 24 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-06-20
Release date:2020-09-02
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
3IO9
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BU of 3io9 by Molmil
BimL12Y in complex with Mcl-1
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D.
Deposit date:2009-08-14
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
Descriptor: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
Authors:Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
Deposit date:2020-04-10
Release date:2020-04-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
6XPF
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BU of 6xpf by Molmil
Cryo-EM structure of human ZnT8 WT, in the absence of zinc, determined in heterogeneous conformations- one subunit in an inward-facing and the other in an outward-facing conformation
Descriptor: ZINC ION, Zinc transporter 8
Authors:Bai, X.C, Xue, J, Jiang, Y.X.
Deposit date:2020-07-08
Release date:2020-08-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Cryo-EM structures of human ZnT8 in both outward- and inward-facing conformations.
Elife, 9, 2020
7BU8
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BU of 7bu8 by Molmil
Cryo-EM structure of zika virus complexed with Fab SIgN-3C at pH 6.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SIgN-3C Fab heavy chain, ...
Authors:Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
Deposit date:2020-04-05
Release date:2020-05-13
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
6XV6
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BU of 6xv6 by Molmil
Human Sirt6 3-318 in complex with ADP-ribose
Descriptor: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, NICOTINAMIDE, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6MUH
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BU of 6muh by Molmil
Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography
Descriptor: Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-23
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
4HQJ
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BU of 4hqj by Molmil
Crystal structure of Na+,K+-ATPase in the Na+-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ...
Authors:Nyblom, M, Reinhard, L, Gourdon, P, Nissen, P.
Deposit date:2012-10-25
Release date:2013-10-02
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state.
Science, 342, 2013
6XRO
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BU of 6xro by Molmil
Crystal structure of GlpG in complex with peptide boronate inhibitor, Ac-KRFRSMQYSA-B(OH)2
Descriptor: CHLORIDE ION, Rhomboid protease GlpG, SODIUM ION, ...
Authors:Urban, S, Cho, S.
Deposit date:2020-07-13
Release date:2020-09-16
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Cell Chem Biol, 27, 2020
3IXZ
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BU of 3ixz by Molmil
Pig gastric H+/K+-ATPase complexed with aluminium fluoride
Descriptor: Potassium-transporting ATPase alpha, Potassium-transporting ATPase subunit beta
Authors:Abe, K, Tani, K, Nishizawa, T, Fujiyoshi, Y.
Deposit date:2009-03-09
Release date:2009-06-23
Last modified:2024-02-21
Method:ELECTRON CRYSTALLOGRAPHY (6.5 Å)
Cite:Inter-subunit interaction of gastric H+,K+-ATPase prevents reverse reaction of the transport cycle
Embo J., 28, 2009
3IRX
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BU of 3irx by Molmil
Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
Descriptor: (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H
Authors:Ho, W.C, Arnold, E.
Deposit date:2009-08-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
J.Med.Chem., 52, 2009
7BQV
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BU of 7bqv by Molmil
Cereblon in complex with SALL4 and (S)-5-hydroxythalidomide
Descriptor: 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione, Protein cereblon, SULFATE ION, ...
Authors:Furihata, H, Miyauchi, Y, Asano, A, Tanokura, M, Miyakawa, T.
Deposit date:2020-03-25
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide.
Nat Commun, 11, 2020
7BQU
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BU of 7bqu by Molmil
Cereblon in complex with SALL4 and (S)-thalidomide
Descriptor: Protein cereblon, S-Thalidomide, Sal-like protein 4, ...
Authors:Furihata, H, Miyauchi, Y, Asano, A, Tanokura, M, Miyakawa, T.
Deposit date:2020-03-25
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide.
Nat Commun, 11, 2020
6N3F
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BU of 6n3f by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ...
Authors:Leach, J.R, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
Authors:Cheng, L, Shao, Z.
Deposit date:2020-03-26
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
4J72
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BU of 4j72 by Molmil
Crystal Structure of polyprenyl-phosphate N-acetyl hexosamine 1-phosphate transferase
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Phospho-N-acetylmuramoyl-pentapeptide-transferase
Authors:Lee, S.Y, Chung, B.C, Gillespie, R.A, Kwon, D.Y, Guan, Z, Zhou, P, Hong, J.
Deposit date:2013-02-12
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of MraY, an essential membrane enzyme for bacterial cell wall synthesis.
Science, 341, 2013
6N4R
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BU of 6n4r by Molmil
CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2
Descriptor: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
Authors:Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
7BSV
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BU of 7bsv by Molmil
Cryo-EM structure of a human ATP11C-CDC50A flippase in PtdSer-occluded E2-AlF state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ATP11C, CDC50A, ...
Authors:Abe, K, Nishizawa, T, Nakanishi, H.
Deposit date:2020-03-31
Release date:2020-09-30
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Transport Cycle of Plasma Membrane Flippase ATP11C by Cryo-EM.
Cell Rep, 32, 2020
3IWE
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BU of 3iwe by Molmil
Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
Authors:Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2009-09-02
Release date:2009-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646
To be Published
6WD3
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BU of 6wd3 by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure II-B1)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
7KV0
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BU of 7kv0 by Molmil
Crystallographic structure of Paenibacillus xylanivorans GH11
Descriptor: 1,2-ETHANEDIOL, Endo-1,4-beta-xylanase
Authors:Briganti, L, Polikarpov, I.
Deposit date:2020-11-26
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural and molecular dynamics investigations of ligand stabilization via secondary binding site interactions in Paenibacillus xylanivorans GH11 xylanase.
Comput Struct Biotechnol J, 19, 2021

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