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5T3M
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BU of 5t3m by Molmil
Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7
Descriptor: Mu-theraphotoxin-Hs2a
Authors:Rahnama, S, Sharma, G, Mobli, M.
Deposit date:2016-08-25
Release date:2017-09-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structure, dynamics and selectivity profile of a NaV1.7 potency-optimised huwentoxin-IV variant.
PLoS ONE, 12, 2017
4AGK
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BU of 4agk by Molmil
Crystal structure of capsid protein (110-267) from Aura virus
Descriptor: CAPSID PROTEIN
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2012-01-30
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts
Plos One, 7, 2012
6ROJ
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BU of 6roj by Molmil
Cryo-EM structure of the activated Drs2p-Cdc50p
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
6RJP
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BU of 6rjp by Molmil
Bfl-1 in complex with alpha helical peptide
Descriptor: Bcl-2-like protein 11, Bcl-2-related protein A1
Authors:Baggio, C, Gambini, L, Udompholkul, P, Salem, A.F, Hakansson, M, Jossart, J, Perry, J, Pellecchia, M.
Deposit date:2019-04-29
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:N-locking stabilization of covalent helical peptides: Application to Bfl-1 antagonists.
Chem.Biol.Drug Des., 95, 2020
5TLR
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BU of 5tlr by Molmil
Solution NMR structure of gHwTx-IV
Descriptor: Mu-theraphotoxin-Hs2a
Authors:Agwa, A.J, Schroeder, C.I.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Spider peptide toxin HwTx-IV engineered to bind to lipid membranes has an increased inhibitory potency at human voltage-gated sodium channel hNaV1.7.
Biochim. Biophys. Acta, 1859, 2017
6UVK
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BU of 6uvk by Molmil
OXA-48 bound by inhibitor CDD-97
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G.
Deposit date:2019-11-02
Release date:2020-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
2M8J
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BU of 2m8j by Molmil
Structure of Pin1 WW domain phospho-mimic S16E
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Luh, L.M, Kirchner, D.K, Loehr, F, Haensel, R, Doetsch, V.
Deposit date:2013-05-22
Release date:2014-04-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular crowding drives active Pin1 into nonspecific complexes with endogenous proteins prior to substrate recognition.
J.Am.Chem.Soc., 135, 2013
5TTJ
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BU of 5ttj by Molmil
Crystal Structure of Nicotine Oxidoreductase from Pseudomonas putida
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Janda, K.D, Allen, K.N.
Deposit date:2016-11-03
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
4AI6
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BU of 4ai6 by Molmil
Dynein Motor Domain - ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME, ...
Authors:Schmidt, H, Gleave, E.S, Carter, A.P.
Deposit date:2012-02-08
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure
Nat.Struct.Mol.Biol., 19, 2012
5TOQ
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BU of 5toq by Molmil
High resolution crystal structure of AAT
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
4A2O
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BU of 4a2o by Molmil
STRUCTURE OF THE HUMAN EOSINOPHIL CATIONIC PROTEIN IN COMPLEX WITH SULFATE ANIONS
Descriptor: EOSINOPHIL CATIONIC PROTEIN, SULFATE ION
Authors:Boix, E, Pulido, D, Moussaoui, M, Nogues, V, Russi, S.
Deposit date:2011-09-28
Release date:2012-06-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The Sulfate-Binding Site Structure of the Human Eosinophil Cationic Protein as Revealed by a New Crystal Form.
J.Struct.Biol., 179, 2012
6ROI
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BU of 6roi by Molmil
Cryo-EM structure of the partially activated Drs2p-Cdc50p
Descriptor: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
Deposit date:2019-05-13
Release date:2019-07-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
4AGT
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BU of 4agt by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with Fuc1-6GlcNAc.
Descriptor: FUCOSE-SPECIFIC LECTIN FLEA, SODIUM ION, alpha-L-fucopyranose, ...
Authors:Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
Deposit date:2012-01-31
Release date:2013-02-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent
Acta Crystallogr.,Sect.D, 71, 2015
6RV6
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BU of 6rv6 by Molmil
Structure of properdin lacking TSR3 based on anomalous data
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ...
Authors:Pedersen, D.V, Andersen, G.R.
Deposit date:2019-05-31
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.507 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
4AHA
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BU of 4aha by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with fucosylated monosaccharides (Fuc1-2Gal, Fuc1- 3GlcNAc, Fuc1-4GlcNAc and Fuc1-6GlcNAc)
Descriptor: Fucose-specific lectin, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
Deposit date:2012-02-06
Release date:2013-02-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent
Acta Crystallogr.,Sect.D, 71, 2015
6RVY
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BU of 6rvy by Molmil
Inward-open structure of the ASCT2 (SLC1A5) mutant C467R in absence of substrate
Descriptor: Neutral amino acid transporter B(0)
Authors:Garaeva, A.A, Guskov, A, Slotboom, D.J, Paulino, C.
Deposit date:2019-06-03
Release date:2019-08-07
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:A one-gate elevator mechanism for the human neutral amino acid transporter ASCT2.
Nat Commun, 10, 2019
8EPA
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BU of 8epa by Molmil
Structure of interleukin receptor common gamma chain (IL2Rgamma) in complex with two antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, REGN7257 Fab heavy chain, ...
Authors:Franklin, M.C, Romero Hernandez, A.
Deposit date:2022-10-05
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Blocking common gamma chain cytokine signaling ameliorates T cell-mediated pathogenesis in disease models.
Sci Transl Med, 15, 2023
4AC5
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BU of 4ac5 by Molmil
Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R.
Deposit date:2011-12-14
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (8.2 Å)
Cite:Lipidic Phase Membrane Protein Serial Femtosecond Crystallography.
Nat.Methods, 9, 2012
6V0V
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BU of 6v0v by Molmil
Cryo-EM structure of mouse WT RAG1/2 NFC complex (DNA0)
Descriptor: CALCIUM ION, DNA (30-MER), V(D)J recombination-activating protein 1, ...
Authors:Chen, X, Yang, W, Gellert, M.
Deposit date:2019-11-19
Release date:2020-01-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
6UPG
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BU of 6upg by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with cYF-4-OMe
Descriptor: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nguyen, R.C.D, Yang, Y, Liu, A.
Deposit date:2019-10-17
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
6V1A
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BU of 6v1a by Molmil
immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, GLYCEROL, ...
Authors:Lim, J.J, Rossjohn, J.
Deposit date:2019-11-20
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
4A00
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BU of 4a00 by Molmil
Structure of an engineered aspartate aminotransferase
Descriptor: ALANYL-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C.
Deposit date:2011-09-06
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold.
Biocim.Biophys.Acta, 1824, 2011
5TUD
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BU of 5tud by Molmil
Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody
Descriptor: 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ...
Authors:Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V.
Deposit date:2016-11-05
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RT6
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BU of 6rt6 by Molmil
The YTH domain of YTHDC1 protein in complex with GGm6AC oligonucleotide
Descriptor: RNA (5'-R(*(6MZ)P*C)-3'), SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R, Sledz, P, Caflisch, A.
Deposit date:2019-05-22
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Flexible Binding of m6A Reader Protein YTHDC1 to Its Preferred RNA Motif.
J Chem Theory Comput, 15, 2019
5TXL
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BU of 5txl by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG) P*CP*GP*CP*CP*GP)-3'), ...
Authors:Das, K, Martinez, S.M, Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017

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