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6VFS
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BU of 6vfs by Molmil
ClpXP from Neisseria meningitidis - Conformation A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
Authors:Ripstein, Z.A, Vahidi, S, Houry, W.A, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-06
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery.
Elife, 9, 2020
6GHD
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BU of 6ghd by Molmil
Structural analysis of the ternary complex between lamin A/C, BAF and emerin identifies an interface disrupted in autosomal recessive progeroid diseases
Descriptor: 1,2-ETHANEDIOL, Barrier-to-autointegration factor, Emerin, ...
Authors:Samson, C, Petitalot, A, Celli, F, Herrada, I, Ropars, V, Ledu, M.H, Nhiri, N, Arteni, A.A, Buendia, B, ZinnJustin, S.
Deposit date:2018-05-07
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of the ternary complex between lamin A/C, BAF and emerin identifies an interface disrupted in autosomal recessive progeroid diseases.
Nucleic Acids Res., 46, 2018
9DS2
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BU of 9ds2 by Molmil
Crystal structure of 346-54 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 346-54, ...
Authors:Lin, T.H, Wilson, I.A.
Deposit date:2024-09-26
Release date:2025-03-19
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structurally convergent antibodies derived from different vaccine strategies target the influenza virus HA anchor epitope with a subset of V H 3 and V K 3 genes.
Nat Commun, 16, 2025
6T0S
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BU of 6t0s by Molmil
Bat Influenza A polymerase stuttering complex using 44-mer vRNA template with intact oligo(U) sequence
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
6NKM
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BU of 6nkm by Molmil
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
Descriptor: 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
9DRU
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BU of 9dru by Molmil
Crystal structure of 04709_4F04 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 04709_4F04, heavy chain, light chain, ...
Authors:Lin, T.H, Wilson, I.A.
Deposit date:2024-09-26
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structurally convergent antibodies derived from different vaccine strategies target the influenza virus HA anchor epitope with a subset of V H 3 and V K 3 genes.
Nat Commun, 16, 2025
8D8M
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BU of 8d8m by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence grown in a calcium chloride crystallization solution.
Descriptor: CALCIUM ION, DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3'), DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-06-08
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Designed crystalline assemblies of protein and DNA enable site-specific installation of a guest protein, DNA, and small molecule.
To Be Published
9DS1
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BU of 9ds1 by Molmil
Crystal structure of 241_2F04 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 241_2F04, Heavy chain, ...
Authors:Lin, T.H, Wilson, I.A.
Deposit date:2024-09-26
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally convergent antibodies derived from different vaccine strategies target the influenza virus HA anchor epitope with a subset of V H 3 and V K 3 genes.
Nat Commun, 16, 2025
6Q58
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BU of 6q58 by Molmil
Copper loading to a cytosolic copper storage protein from Streptomyces lividans (five coppers)
Descriptor: COPPER (I) ION, Cytosolic copper storage protein
Authors:Straw, M.L, Hough, M.A, Worrall, J.A.R.
Deposit date:2018-12-07
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Histidine Residue and a Tetranuclear Cuprous-thiolate Cluster Dominate the Copper Loading Landscape of a Copper Storage Protein from Streptomyces lividans.
Chemistry, 25, 2019
6RAT
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BU of 6rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
Descriptor: RIBONUCLEASE A
Authors:Tilton Jr, R.F, Dewan, J.C, Petsko, G.A, Burley, S.K.
Deposit date:1991-08-13
Release date:1993-07-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
6BZW
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BU of 6bzw by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the GL precursor of the broadly neutralizing antibody AP33
Descriptor: AP33 GL Heavy Chain, AP33 GL Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LWU
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BU of 5lwu by Molmil
Structure resulting from an endothiapepsin crystal soaked with a dimeric derivative of fragment 177
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
6T0N
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BU of 6t0n by Molmil
Bat Influenza A polymerase pre-initiation complex
Descriptor: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
6TW1
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BU of 6tw1 by Molmil
Bat Influenza A polymerase termination complex with pyrophosphate using 44-mer vRNA template with mutated oligo(U) sequence
Descriptor: 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2020-01-11
Release date:2020-04-15
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 2020
5Z4W
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BU of 5z4w by Molmil
Crystal structure of signalling protein from buffalo (SPB-40) with an altered conformation of Trp78 at 1.79 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, ...
Authors:Singh, P.K, Chaudhary, A, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2018-01-15
Release date:2018-02-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies.
Arch. Biochem. Biophys., 644, 2018
6WIC
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BU of 6wic by Molmil
Pre-catalytic quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K.
Deposit date:2020-04-09
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break.
Nat Commun, 11, 2020
8PR7
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BU of 8pr7 by Molmil
Aurora-A in complex with CEP192 and an inhibitory monobody
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, Centrosomal protein of 192 kDa, ...
Authors:Miles, J.A, Bayliss, R.
Deposit date:2023-07-12
Release date:2024-07-24
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:CEP192 localises mitotic Aurora-A activity by priming its interaction with TPX2.
Embo J., 43, 2024
6MUJ
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BU of 6muj by Molmil
Formylglycine generating enzyme bound to copper
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, COPPER (II) ION, ...
Authors:Lafrance-Vanasse, J, Appel, M.J, Tsai, C.-L, Bertozzi, C, Tainer, J.A.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O2activation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7TA8
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BU of 7ta8 by Molmil
NMR structure of crosslinked cyclophilin A
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M.
Deposit date:2021-12-20
Release date:2022-06-01
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
6FL3
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BU of 6fl3 by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ...
Authors:Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-01-25
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6FJK
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BU of 6fjk by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
Deposit date:2018-01-22
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.025 Å)
Cite:A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6UJ1
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BU of 6uj1 by Molmil
BACE2 mutant in complex with a macrocyclic compound
Descriptor: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-10-02
Release date:2020-10-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
8W2E
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BU of 8w2e by Molmil
SARS-CoV-2 M protein dimer in complex with JNJ-9676 and Fab-B
Descriptor: (6S,8R)-N-(3-cyanophenyl)-5-{4-[difluoro(phenyl)methyl]phenyl}-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide, Fab B Heavy Chain, Fab B Light Chain, ...
Authors:Yin, Y, Van Damme, E.
Deposit date:2024-02-20
Release date:2025-01-29
Last modified:2025-04-23
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:A small-molecule SARS-CoV-2 inhibitor targeting the membrane protein.
Nature, 640, 2025
6BZV
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BU of 6bzv by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the GL precursor of the broadly neutralizing antibody 19B3
Descriptor: 19B3 GL Heavy Chain, 19B3 GL Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4YB8
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BU of 4yb8 by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2015-02-18
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016

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