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9IP2
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BU of 9ip2 by Molmil
Cryo-EM structure of the RNA-dependent RNA polymerase complex from Marburg virus
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Polymerase cofactor VP35, RNA-directed RNA polymerase L,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
Authors:Li, G, Du, T, Wang, J, Wu, S, Ru, H.
Deposit date:2024-07-10
Release date:2025-04-09
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into the RNA-dependent RNA polymerase complexes from highly pathogenic Marburg and Ebola viruses.
Nat Commun, 16, 2025
2WIJ
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BU of 2wij by Molmil
NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
Deposit date:2009-05-12
Release date:2009-05-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
9I76
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BU of 9i76 by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carboxamido)butanoic acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, DIMETHYL SULFOXIDE, ...
Authors:Yadrykhins'ky, V, Brenk, R.
Deposit date:2025-01-31
Release date:2025-04-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
6TJT
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BU of 6tjt by Molmil
Neuropilin2-b1 domain in a complex with the C-terminal VEGFC peptide
Descriptor: 1,2-ETHANEDIOL, Neuropilin-2, SULFATE ION, ...
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-26
Release date:2020-12-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:NRP2-b1 domain in a complex with the C-terminal VEGFC peptide
To Be Published
8S0O
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BU of 8s0o by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.834 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
6ENS
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BU of 6ens by Molmil
Structure of mouse wild-type RKIP
Descriptor: ACETATE ION, GLYCEROL, Phosphatidylethanolamine-binding protein 1
Authors:Hirschbeck, M, Koelmel, W, Schindelin, H, Lorenz, K, Kisker, C.
Deposit date:2017-10-06
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
9IP3
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BU of 9ip3 by Molmil
Cryo-EM structure of the RNA-dependent RNA polymerase complex in a compact conformation from Ebola virus
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Polymerase cofactor VP35, Maltose/maltodextrin-binding periplasmic protein,RNA-directed RNA polymerase L, ZINC ION
Authors:Li, G, Du, T, Wang, J, Wu, S, Ru, H.
Deposit date:2024-07-10
Release date:2025-04-09
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the RNA-dependent RNA polymerase complexes from highly pathogenic Marburg and Ebola viruses.
Nat Commun, 16, 2025
4N03
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BU of 4n03 by Molmil
Fatty acid ABC transporter substrate-binding protein from Thermomonospora curvata
Descriptor: 1,2-ETHANEDIOL, ABC-type branched-chain amino acid transport systems periplasmic component-like protein, PALMITIC ACID
Authors:Osipiuk, J, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-09-30
Release date:2013-10-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Fatty acid ABC transporter substrate-binding protein from Thermomonospora curvata
To be Published
3IAI
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BU of 3iai by Molmil
Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 9, ...
Authors:Alterio, V, Di Fiore, A, De Simone, G.
Deposit date:2009-07-14
Release date:2009-09-08
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX.
Proc.Natl.Acad.Sci.USA, 106, 2009
4XX0
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BU of 4xx0 by Molmil
CoA bound to pig GTP-specific succinyl-CoA synthetase
Descriptor: COENZYME A, GLYCEROL, PHOSPHATE ION, ...
Authors:Fraser, M.E, Huang, J, Malhi, M.
Deposit date:2015-01-29
Release date:2015-08-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of GTP-specific succinyl-CoA synthetase in complex with CoA.
Acta Crystallogr.,Sect.F, 71, 2015
8S0Q
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BU of 8s0q by Molmil
A fragment-based inhibitor of SHP2
Descriptor: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
5C0R
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BU of 5c0r by Molmil
Crystal Structure of a Generation 3 Influenza Hemagglutinin Stabilized Stem Complexed with the Broadly Neutralizing Antibody C179
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C179 Fab heavy chain, ...
Authors:Boyington, J.C, kwong, P.D, Nabel, G.J, Mascola, J.R.
Deposit date:2015-06-12
Release date:2015-09-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.188 Å)
Cite:Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
2A74
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BU of 2a74 by Molmil
Human Complement Component C3c
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Complement Component C3c, GLYCEROL, ...
Authors:Janssen, B.J.C, Huizinga, E.G, Raaijmakers, H.C.A, Roos, A, Daha, M.R, Nilsson-Ekdahl, K, Nilsson, B, Gros, P.
Deposit date:2005-07-04
Release date:2005-09-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of complement component C3 provide insights into the function and evolution of immunity.
Nature, 437, 2005
5C1M
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BU of 5c1m by Molmil
Crystal structure of active mu-opioid receptor bound to the agonist BU72
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
Authors:Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K.
Deposit date:2015-06-15
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
4AA1
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BU of 4aa1 by Molmil
Crystal structure of ANCE in complex with Angiotensin-II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-2, ANGIOTENSIN-CONVERTING ENZYME, ...
Authors:Isaac, R.E, Akif, M, Schwager, S.L.U, Masuyer, G, Sturrock, E.D, Acharya, K.R.
Deposit date:2011-11-30
Release date:2012-10-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster
FEBS J., 279, 2012
4YQ1
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BU of 4yq1 by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:To Be Published
To be published
7EVQ
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BU of 7evq by Molmil
Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ...
Authors:Viswanathan, V, Singh, J, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2021-05-21
Release date:2021-06-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution
To Be Published
8B45
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BU of 8b45 by Molmil
Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
Descriptor: 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ...
Authors:Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N.
Deposit date:2022-09-19
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
To Be Published
7RHD
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BU of 7rhd by Molmil
darkmRuby M94T/F96Y mutant at pH 7.5
Descriptor: 1,2-ETHANEDIOL, darkmRuby M94T/F96Y mutant
Authors:Huang, M, Ng, H.L, Zhang, S, Deng, M, Chu, J.
Deposit date:2021-07-16
Release date:2022-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Long-range Interaction Affects Brightness and pH Stability of a Dark Fluorescent Protein
To Be Published
4YQR
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BU of 4yqr by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
5IDY
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BU of 5idy by Molmil
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
to be published
6HOP
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BU of 6hop by Molmil
Human protein kinase CK2 alpha in complex with curcumin degradation products
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6E9P
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BU of 6e9p by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD0059 bound
Descriptor: (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-01
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.569 Å)
Cite:Crystal structure of tryptophan synthase from M. tuberculosis - closed form with BRD6309 bound
To be Published
5FSM
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BU of 5fsm by Molmil
MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide.
Descriptor: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
Deposit date:2016-01-06
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
6EAC
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BU of 6eac by Molmil
Pseudomonas syringae SelO
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A.
Deposit date:2018-08-02
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.269 Å)
Cite:Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Cell, 175, 2018

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