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5V5H
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BU of 5v5h by Molmil
OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RNA-directed RNA polymerase L, SODIUM ION, ...
Authors:Khare, B, Mark, B.L.
Deposit date:2017-03-14
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants.
PLoS Pathog., 13, 2017
5W23
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BU of 5w23 by Molmil
Crystal Structure of RSV F in complex with 5C4 Fab
Descriptor: 5C4 Fab heavy chain, 5C4 Fab light chain, Fusion glycoprotein F0, ...
Authors:Battles, M.B, McLellan, J.S.
Deposit date:2017-06-05
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis of respiratory syncytial virus subtype-dependent neutralization by an antibody targeting the fusion glycoprotein.
Nat Commun, 8, 2017
5LAY
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BU of 5lay by Molmil
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
Descriptor: (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
6CM4
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BU of 6cm4 by Molmil
Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone
Descriptor: 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, D(2) dopamine receptor, endolysin chimera, ...
Authors:Wang, S, Che, T, Levit, A, Shoichet, B.K, Wacker, D, Roth, B.L.
Deposit date:2018-03-02
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.867 Å)
Cite:Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.
Nature, 555, 2018
6X0Q
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BU of 6x0q by Molmil
A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H coordinated with heme
Descriptor: Capsid protein Circular Permutant, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dai, J, Knott, G.J, Francis, M.B.
Deposit date:2020-05-17
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins.
Acs Nano, 15, 2021
4R48
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BU of 4r48 by Molmil
Racemic crystal structure of a calcium-bound DNA four-way junction
Descriptor: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
Authors:Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
Deposit date:2014-08-19
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
6WUQ
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BU of 6wuq by Molmil
Crystal structure of AjiA1 in apo form
Descriptor: AjiA1, MAGNESIUM ION, ZINC ION
Authors:Paiva, F.C.R, Chan, K, Leadlay, P, Dias, M.V.B.
Deposit date:2020-05-05
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:The crystal structure of AjiA1 reveals a novel structural motion mechanism in the adenylate-forming enzyme family
Acta Crystallogr.,Sect.D, 76, 2020
6CNY
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BU of 6cny by Molmil
2.3 Angstrom Structure of Phosphodiesterase treated Vivid (complex with FMN)
Descriptor: FLAVIN MONONUCLEOTIDE, Vivid PAS protein VVD
Authors:Zoltowski, B.D, Shabalin, I.G, Kowiel, M, Porebski, P.J, Crane, B.R, Bilwes, A.M.
Deposit date:2018-03-09
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational switching in the fungal light sensor Vivid.
Science, 316, 2007
3DD2
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BU of 3dd2 by Molmil
Crystal structure of an RNA aptamer bound to human thrombin
Descriptor: ACETIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Long, S.B, Sullenger, B.A.
Deposit date:2008-06-04
Release date:2008-11-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an RNA aptamer bound to thrombin.
Rna, 14, 2008
7KRA
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BU of 7kra by Molmil
Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to Fab-DH4 in lipid nanodiscs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ...
Authors:Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A.
Deposit date:2020-11-19
Release date:2020-12-02
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
5GL2
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BU of 5gl2 by Molmil
Crystal structure of TON_0340 in complex with Ca
Descriptor: CALCIUM ION, Uncharacterized protein
Authors:Lee, S.G, Sohn, Y.S, Oh, B.H.
Deposit date:2016-07-07
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identification of a Highly Conserved Hypothetical Protein TON_0340 as a Probable Manganese-Dependent Phosphatase.
PLoS ONE, 11, 2016
6CBV
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BU of 6cbv by Molmil
Crystal structure of BRIL bound to an affinity matured synthetic antibody.
Descriptor: BRIL, FORMIC ACID, GLYCEROL, ...
Authors:Mukherjee, S, Skrobek, B, Kossiakoff, A.A.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
6CCF
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BU of 6ccf by Molmil
Crystal Structure of the Human CAMKK1A in complex with Hesperadin
Descriptor: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 1, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, ...
Authors:Santiago, A.S, Counago, R.M, dos Reis, C.V, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human CAMKK1A in complex with Hesperadin
To be Published
6TCJ
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BU of 6tcj by Molmil
Crystal structure of the BCL6 BTB domain in complex with a hybrid BTB-binding (HBP) peptide
Descriptor: B-cell lymphoma 6 protein, Hybrid BTB-binding (HBP) peptide, SODIUM ION
Authors:Zacharchenko, T, Wright, S.C.
Deposit date:2019-11-06
Release date:2021-10-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis of Apt48 inhibition of the BCL6 BTB domain.
Structure, 2021
8E37
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BU of 8e37 by Molmil
Structure of Campylobacter concisus wild-type SeMet PglC
Descriptor: N,N'-diacetylbacilliosaminyl-1-phosphate transferase
Authors:Vuksanovic, N, Ray, L.C, Imperiali, B, Allen, K.N.
Deposit date:2022-08-16
Release date:2023-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble.
J.Biol.Chem., 299, 2023
3V0A
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BU of 3v0a by Molmil
2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BoNT/A, CALCIUM ION, ...
Authors:Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R.
Deposit date:2011-12-07
Release date:2012-03-14
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
6CXX
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BU of 6cxx by Molmil
Horse liver E267H alcohol dehydrogenase complex with 3'-dephosphocoenzyme A
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alcohol dehydrogenase E chain, ...
Authors:Plapp, B.V.
Deposit date:2018-04-04
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Substitutions of a buried glutamate residue hinder the conformational change in horse liver alcohol dehydrogenase and yield a surprising complex with endogenous 3'-Dephosphocoenzyme A.
Arch. Biochem. Biophys., 653, 2018
4R06
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BU of 4r06 by Molmil
Crystal Structure of SR2067 bound to PPARgamma
Descriptor: 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION
Authors:Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B.
Deposit date:2014-07-30
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism.
Acs Chem.Biol., 11, 2016
6CSM
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BU of 6csm by Molmil
Crystal structure of the natural light-gated anion channel GtACR1
Descriptor: GtACR1, OLEIC ACID, RETINAL
Authors:Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
Deposit date:2018-03-21
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
5GNH
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BU of 5gnh by Molmil
Myotubularin-related protein 2
Descriptor: Myotubularin-related protein 2, PHOSPHATE ION
Authors:Lee, B.I, Bong, S.M.
Deposit date:2016-07-21
Release date:2017-07-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of MTMR2
To Be Published
6CZY
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BU of 6czy by Molmil
Crystal structure of Arabidopsis thaliana phosphoserine aminotransferase isoform 1 (AtPSAT1) in complex with Pyridoxamine-5'-phosphate (PMP)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Ruszkowski, M, Dauter, Z.
Deposit date:2018-04-09
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Analysis of Phosphoserine Aminotransferase (Isoform 1) FromArabidopsis thaliana- the Enzyme Involved in the Phosphorylated Pathway of Serine Biosynthesis.
Front Plant Sci, 9, 2018
6E8R
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BU of 6e8r by Molmil
Structure of the SNX32 PX domain in complex with Chlamydial protein IncE in space group I121
Descriptor: IncE, Sorting nexin-32
Authors:Paul, B, Collins, B.
Deposit date:2018-07-31
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Crystal structure of the SNX32 PX domain in complex with the Chlamydia trachomatis inclusion protein IncE
To be Published
8DTS
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BU of 8dts by Molmil
X-ray crystal structure of AFSSFN from chaperone DNAJB8.
Descriptor: DNAJB8 peptide AFSSFN
Authors:Boyer, D.R, Ryder, B, Sawaya, M.R, Joachimiak, L.A.
Deposit date:2022-07-26
Release date:2024-01-31
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (0.75 Å)
Cite:DNAJB8 oligomerization is mediated by an aromatic-rich motif that is dispensable for substrate activity.
Structure, 32, 2024
4S2L
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BU of 4s2l by Molmil
Crystal Structure of OXA-163 beta-lactamase
Descriptor: Beta-lactamase, SODIUM ION
Authors:Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B.
Deposit date:2015-01-21
Release date:2015-07-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
3HJK
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BU of 3hjk by Molmil
2.0 Angstrom Structure of the Ile74Val Variant of Vivid (VVD).
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Vivid PAS protein VVD
Authors:Zoltowski, B.D, Vaccaro, B.J, Crane, B.R.
Deposit date:2009-05-21
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism-based tuning of a LOV domain photoreceptor.
Nat.Chem.Biol., 5, 2009

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