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6OQQ
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BU of 6oqq by Molmil
Legionella pneumophila SidJ/Saccharomyces cerevisiae calmodulin complex
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Tomchick, D.R, Tagliabracci, V.S, Black, M, Osinski, A.
Deposit date:2019-04-28
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Bacterial pseudokinase catalyzes protein polyglutamylation to inhibit the SidE-family ubiquitin ligases.
Science, 364, 2019
1BJR
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BU of 1bjr by Molmil
COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K
Descriptor: CALCIUM ION, LACTOFERRIN, PROTEINASE K
Authors:Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L.
Deposit date:1998-06-27
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K.
Proteins, 33, 1998
8SEM
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BU of 8sem by Molmil
Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni
Descriptor: TRPV1 inhibitory peptide Tst2
Authors:Elnahriry, K.A, Wai, D.C.C, Norton, R.S.
Deposit date:2023-04-10
Release date:2023-09-27
Method:SOLUTION NMR
Cite:Structural and functional characterisation of Tst2, a novel TRPV1 inhibitory peptide from the Australian sea anemone Telmatactis stephensoni.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
8CXO
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BU of 8cxo by Molmil
Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment
Descriptor: CHOLESTEROL, Smoothened homolog, GlgA glycogen synthase chimera
Authors:Zhang, K, Wu, H, Hoppe, N, Manglik, A, Cheng, Y.
Deposit date:2022-05-22
Release date:2022-08-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Fusion protein strategies for cryo-EM study of G protein-coupled receptors.
Nat Commun, 13, 2022
8DGF
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BU of 8dgf by Molmil
Avs4 bound to phage PhiV-1 portal
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding protein Avs4, MAGNESIUM ION, ...
Authors:Wilkinson, M.E, Gao, L, Strecker, J, Makarova, K.S, Macrae, R.K, Koonin, E.V, Zhang, F.
Deposit date:2022-06-23
Release date:2022-08-03
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Science, 377, 2022
8DGC
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BU of 8dgc by Molmil
Avs3 bound to phage PhiV-1 terminase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SeAvs3, ...
Authors:Wilkinson, M.E, Gao, L, Strecker, J, Makarova, K.S, Macrae, R.K, Koonin, E.V, Zhang, F.
Deposit date:2022-06-23
Release date:2022-08-03
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Science, 377, 2022
8CW9
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BU of 8cw9 by Molmil
Prefusion-stabilized hMPV fusion protein bound to ADI-61026 and MPE8 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-61026 heavy, ADI-61026 light, ...
Authors:Hsieh, C.-L, McLellan, J.S.
Deposit date:2022-05-18
Release date:2022-08-10
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Potently neutralizing and protective anti-human metapneumovirus antibodies target diverse sites on the fusion glycoprotein.
Immunity, 55, 2022
1WYI
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BU of 1wyi by Molmil
human triosephosphate isomerase of new crystal form
Descriptor: Triosephosphate isomerase
Authors:Kinoshita, T.
Deposit date:2005-02-14
Release date:2005-04-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a high-resolution crystal form of human triosephosphate isomerase: improvement of crystals using the gel-tube method.
Acta Crystallogr.,Sect.F, 61, 2005
5J5H
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BU of 5j5h by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
6P67
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BU of 6p67 by Molmil
Crystal Structure of a Complex of human IL-7Ralpha with an anti-IL-7Ralpha 2B8 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-IL-7R 2B8 Fab heavy chain, ...
Authors:Walsh, S.T.R, Kashi, L, Kohnhorst, C.L.
Deposit date:2019-06-03
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models.
Leukemia, 34, 2020
5J5I
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BU of 5j5i by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Camacho Hernandez, G.A, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
5J81
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BU of 5j81 by Molmil
Crystal structure of Glycoprotein C from Puumala virus in the post-fusion conformation (pH 6.0)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ACETATE ION, Envelopment polyprotein, ...
Authors:Willensky, S, Dessau, M.
Deposit date:2016-04-07
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Glycoprotein C from a Hantavirus in the Post-fusion Conformation.
Plos Pathog., 12, 2016
1BMB
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BU of 1bmb by Molmil
GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974)
Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2), PROTEIN (PKF270-974)
Authors:Rondeau, J.M, Zurini, M.
Deposit date:1998-07-23
Release date:1998-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and conformational requirements for high-affinity binding to the SH2 domain of Grb2(1).
J.Med.Chem., 42, 1999
2V8L
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BU of 2v8l by Molmil
Carbohydrate-binding of the starch binding domain of Rhizopus oryzae glucoamylase in complex with beta-cyclodextrin and maltoheptaose
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLUCOAMYLASE A, ZINC ION
Authors:Tung, J.-Y, Liu, Y.-Y, Sun, Y.-J.
Deposit date:2007-08-09
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of the Starch-Binding Domain from Rhizopus Oryzae Glucoamylase Reveal a Polysaccharide-Binding Path.
Biochem.J., 416, 2008
6PMO
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BU of 6pmo by Molmil
Co-crystal structure of the Geobacillus kaustophilus glyQ T-box riboswitch discriminator domain in complex with tRNA-Gly
Descriptor: IRIDIUM ION, MAGNESIUM ION, T-box riboswitch discriminator, ...
Authors:Li, S, Zhang, J.
Deposit date:2019-07-02
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65703368 Å)
Cite:Structural basis of amino acid surveillance by higher-order tRNA-mRNA interactions.
Nat.Struct.Mol.Biol., 26, 2019
5J5G
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BU of 5j5g by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.036 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
1BM2
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BU of 1bm2 by Molmil
GRB2-SH2 DOMAIN IN COMPLEX WITH CYCLO-[N-ALPHA-ACETYL-L-THI ALYSYL-O-PHOSPHOTYROSYL-VALYL-ASPARAGYL-VALYL-PROLYL] (PKF273-791)
Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2), PROTEIN (PKF273-791)
Authors:Rondeau, J.M, Zurini, M.
Deposit date:1998-07-27
Release date:1998-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and conformational requirements for high-affinity binding to the SH2 domain of Grb2(1).
J.Med.Chem., 42, 1999
6P3T
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BU of 6p3t by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449
Descriptor: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2019-05-24
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
5J9H
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BU of 5j9h by Molmil
Crystal structure of Glycoprotein C from Puumala virus in the post-fusion conformation (pH 8.0)
Descriptor: Envelopment polyprotein, SULFATE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Willensky, S, Dessau, M.
Deposit date:2016-04-10
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Glycoprotein C from a Hantavirus in the Post-fusion Conformation.
Plos Pathog., 12, 2016
7Q5F
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BU of 7q5f by Molmil
Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
7Q5E
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BU of 7q5e by Molmil
Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Descriptor: 3C-like proteinase, CHLORIDE ION, SODIUM ION, ...
Authors:Costanzi, E, Demitri, N, Storici, P.
Deposit date:2021-11-03
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
1BP4
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BU of 1bp4 by Molmil
USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES.
Descriptor: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN
Authors:Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S.
Deposit date:1998-08-12
Release date:1999-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.
J.Med.Chem., 41, 1998
7PQH
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BU of 7pqh by Molmil
Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains).
Descriptor: Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8
Authors:Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R.
Deposit date:2021-09-17
Release date:2023-01-18
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
5J5F
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BU of 5j5f by Molmil
X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Kaczanowska, K, Camacho Hernandez, G.A, Harel, M, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017

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