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4AZL
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BU of 4azl by Molmil
In meso structure of alginate transporter, AlgE, from Pseudomoas aeruginosa, PAO1, crystal form 2.
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ALGINATE PRODUCTION PROTEIN ALGE, ...
Authors:Tan, J, Pye, V.E, Aragao, D, Caffrey, M.
Deposit date:2012-06-26
Release date:2013-07-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa.
Acta Crystallogr.,Sect.D, 70, 2014
4B61
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BU of 4b61 by Molmil
In meso structure of alginate transporter, AlgE, from Pseudomoas aeruginosa, PAO1. Crystal form 3.
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ...
Authors:Tan, J, Pye, V.E, Aragao, D, Caffrey, M.
Deposit date:2012-08-08
Release date:2013-07-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa.
Acta Crystallogr.,Sect.D, 70, 2014
2IAJ
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BU of 2iaj by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Das, K, Arnold, E.
Deposit date:2006-09-08
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
2IC3
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BU of 2ic3 by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
Descriptor: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H (p51 RT), ...
Authors:Das, K, Arnold, E.
Deposit date:2006-09-12
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
4DT5
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BU of 4dt5 by Molmil
Crystal Structure of Rhagium inquisitor Antifreeze Protein
Descriptor: Antifreeze protein, GLYCEROL, SULFATE ION
Authors:Meng, W, Nguyen, J.B, Hakim, A, Thakral, D, Zhu, D.F.
Deposit date:2012-02-20
Release date:2013-03-13
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of an insect antifreeze protein and its implications for ice binding.
J.Biol.Chem., 288, 2013
4YIX
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BU of 4yix by Molmil
Structure of MRB1590 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MERCURY (II) ION, ...
Authors:Shaw, P.L.R, Schumacher, M.A.
Deposit date:2015-03-02
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
4YHJ
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BU of 4yhj by Molmil
Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4 (GRK4)
Descriptor: AMP PHOSPHORAMIDATE, G protein-coupled receptor kinase 4
Authors:Allen, S.J, Parthasarathy, G, Soisson, S, Munshi, S.
Deposit date:2015-02-27
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4.
J.Biol.Chem., 290, 2015
4YIY
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BU of 4yiy by Molmil
Structure of MRB1590 bound to AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, kRNA Editing A6 Specific Protein
Authors:Shaw, P.L.R, Schumacher, M.A.
Deposit date:2015-03-02
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.016 Å)
Cite:Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
4YJ1
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BU of 4yj1 by Molmil
Crystal structure of T. brucei MRB1590-ADP bound to poly-U RNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein
Authors:Schumacher, M.A.
Deposit date:2015-03-03
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
5A51
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BU of 5a51 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and phophatidyl serine
Descriptor: AT3G17980, CALCIUM ION, PHOSPHOSERINE
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A50
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BU of 5a50 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions, Zn and Phopho Choline
Descriptor: AT3G17980, CALCIUM ION, PHOSPHOCHOLINE, ...
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A52
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BU of 5a52 by Molmil
The crystal structure of Arabidopsis thaliana CAR1 in complex with one calcium ion
Descriptor: CALCIUM ION, CALCIUM-DEPENDENT LIPID-BINDING DOMAIN-CONTAINING PROTEIN, GLYCEROL, ...
Authors:Fernandez, D, Marquez, J.A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A4X
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BU of 5a4x by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and Zn
Descriptor: AT3G17980, CALCIUM ION, ZINC ION
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
1HPO
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BU of 1hpo by Molmil
HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX
Descriptor: 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE, HIV-1 PROTEASE
Authors:Watenpaugh, K.D, Janakiraman, M.N.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
4GMC
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BU of 4gmc by Molmil
Crystal structure of HCV NS5B polymerase in complex with a thumb inhibitor
Descriptor: 3-cyclohexyl-2-(furan-3-yl)-1-[2-(morpholin-4-yl)-2-oxoethyl]-N-(phenylsulfonyl)-1H-indole-6-carboxamide, NS5B polymerase, SULFATE ION
Authors:Coulombe, R.
Deposit date:2012-08-15
Release date:2013-02-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric N-acetamide-indole-6-carboxylic acid thumb pocket 1 inhibitors of hepatitis C virus NS5B polymerase - Acylsulfonamides and acylsulfamides as carboxylic acid replacements
Can.J.Chem., 91, 2013
8SMR
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BU of 8smr by Molmil
cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa
Descriptor: (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ...
Authors:Di Trani, J.M, Rubinstein, J.L.
Deposit date:2023-04-26
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SNH
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BU of 8snh by Molmil
cytochrome bc1-cbb3 supercomplex from Pseudomonas aeruginosa
Descriptor: (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, CALCIUM ION, COPPER (II) ION, ...
Authors:Di Trani, J.M, Rubinstein, J.L.
Deposit date:2023-04-27
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the bc 1 - cbb 3 respiratory supercomplex from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 120, 2023
4HFW
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BU of 4hfw by Molmil
Anti Rotavirus Antibody
Descriptor: 6-26 Fab Heavy chain, 6-26 Fab Light chain, SULFATE ION
Authors:Spiller, B.W, Aiyegbo, M, Crowe, J.E.
Deposit date:2012-10-05
Release date:2013-05-29
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore.
Plos One, 8, 2013
8SMQ
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BU of 8smq by Molmil
Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-04-26
Release date:2023-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
Descriptor: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
Descriptor: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
Deposit date:2023-05-23
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8PNV
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BU of 8pnv by Molmil
Cryo-EM structure of styrene oxide isomerase
Descriptor: Nanobody, PROTOPORPHYRIN IX CONTAINING FE, Styrene oxide isomerase
Authors:Khanppnavar, B, Korkhov, B, Li, X.
Deposit date:2023-07-02
Release date:2024-04-03
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.048 Å)
Cite:Structural basis of the Meinwald rearrangement catalysed by styrene oxide isomerase.
Nat.Chem., 2024
8PNU
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BU of 8pnu by Molmil
Cryo-EM structure of styrene oxide isomerase bound to benzylamine inhibitor
Descriptor: BENZYLAMINE, Nanobody, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Khanppnavar, B, Korkhov, V, Li, X.
Deposit date:2023-07-02
Release date:2024-04-03
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.12 Å)
Cite:Structural basis of the Meinwald rearrangement catalysed by styrene oxide isomerase.
Nat.Chem., 2024
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
Descriptor: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Xu, K, Tong, L.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016

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