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3QSS
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BU of 3qss by Molmil
Crystal structure for the MSOX.chloride.MTA ternary complex
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase, ...
Authors:Kommoju, P, Chen, Z, Bruckner, R.C, Mathews, F.S, Jorns, M.S.
Deposit date:2011-02-21
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing oxygen activation sites in two flavoprotein oxidases using chloride as an oxygen surrogate.
Biochemistry, 50, 2011
6ILS
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BU of 6ils by Molmil
Structure of Arabidopsis thaliana Ribokinase complexed with Ribose and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ribokinase, SODIUM ION, ...
Authors:Kang, P, Oh, J, Rhee, S.
Deposit date:2018-10-19
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
3QUM
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BU of 3qum by Molmil
Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody
Descriptor: Fab 5D3D11 Heavy Chain, Fab 5D3D11 Light Chain, Fab 5D5A5 Heavy Chain, ...
Authors:Stura, E.A, Muller, B.H, Michel, S, Ducancel, F.
Deposit date:2011-02-24
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of human prostate-specific antigen in a sandwich antibody complex.
J.Mol.Biol., 414, 2011
6IA6
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BU of 6ia6 by Molmil
Crystal structure of the bacterial Dehalococcoides mccartyi Elp3 with desulfo-CoA
Descriptor: DESULFO-COENZYME A, ELP3 family, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Lin, T.Y, Glatt, S.
Deposit date:2018-11-26
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Elongator subunit Elp3 is a non-canonical tRNA acetyltransferase.
Nat Commun, 10, 2019
6L8H
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BU of 6l8h by Molmil
Crystal structure of CYP97C1
Descriptor: Carotene epsilon-monooxygenase, chloroplastic, GLYCEROL, ...
Authors:Niu, G, Guo, Q, Liu, L.
Deposit date:2019-11-06
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6IKM
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BU of 6ikm by Molmil
Crystal structure of SpuE-Spermidine in complex with ScFv5
Descriptor: Polyamine transport protein, SPERMIDINE, SULFATE ION, ...
Authors:Wu, D, Sun, X.
Deposit date:2018-10-16
Release date:2019-12-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:A Potent Anti-SpuE Antibody Allosterically Inhibits Type III Secretion System and Attenuates Virulence of Pseudomonas Aeruginosa.
J.Mol.Biol., 431, 2019
6IOK
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BU of 6iok by Molmil
Cryo-EM structure of multidrug efflux pump MexAB-OprM (0 degree state)
Descriptor: Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM
Authors:Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E.
Deposit date:2018-10-30
Release date:2019-04-03
Last modified:2019-04-17
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism.
Nat Commun, 10, 2019
3SA5
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BU of 3sa5 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF69
Descriptor: ACETATE ION, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2011-06-02
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
6IR8
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BU of 6ir8 by Molmil
Rice WRKY/DNA complex
Descriptor: DNA (5'-D(P*GP*AP*TP*AP*TP*TP*TP*GP*AP*CP*CP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*GP*TP*CP*AP*AP*AP*TP*AP*TP*C)-3'), OsWRKY45, ...
Authors:Liu, J, Cheng, X, Wang, D.
Deposit date:2018-11-12
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of dimerization and dual W-box DNA recognition by rice WRKY domain.
Nucleic Acids Res., 47, 2019
6KQF
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BU of 6kqf by Molmil
Thermus thermophilus initial transcription complex comprising sigma A and 5'-OH RNA of 5 nt
Descriptor: DNA (5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G*)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Zhang, Y, Li, L, Ebright, R.H.
Deposit date:2019-08-17
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LFH
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BU of 6lfh by Molmil
X-ray crystal structure of chemically synthesized human lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Kar, A, Das, A, Mandal, K.
Deposit date:2019-12-02
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Efficient Chemical Protein Synthesis using Fmoc-Masked N-Terminal Cysteine in Peptide Thioester Segments.
Angew.Chem.Int.Ed.Engl., 59, 2020
3RUT
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BU of 3rut by Molmil
FXR with SRC1 and GSK359
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2011-05-05
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RV2
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BU of 3rv2 by Molmil
Crystal structure of S-adenosylmethionine synthetase from Mycobacterium marinum
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-05
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6ILR
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BU of 6ilr by Molmil
Structure of Arabidopsis thaliana Ribokinase in unligand form
Descriptor: Ribokinase, SODIUM ION, TETRAETHYLENE GLYCOL
Authors:Kang, P, Oh, J, Rhee, S.
Deposit date:2018-10-19
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
6IKA
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BU of 6ika by Molmil
HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex
Descriptor: DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2018-10-15
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Active-site deformation in the structure of HIV-1 RT with HBV-associated septuple amino acid substitutions rationalizes the differential susceptibility of HIV-1 and HBV against 4'-modified nucleoside RT inhibitors.
Biochem. Biophys. Res. Commun., 509, 2019
6KXU
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BU of 6kxu by Molmil
BON1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Wang, Q.C, Jiang, M.Q, Isupov, M.N, Sun, L.F, Wu, Y.K.
Deposit date:2019-09-12
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal Structure of an Arabidopsis Copine providing insights into this protein family
To be published
6KXK
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BU of 6kxk by Molmil
BON1
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, Q.C, Jiang, M.Q, Isupov, M.N, Sun, L.F, Wu, Y.K.
Deposit date:2019-09-12
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of an Arabidopsis Copine providing insights into this protein family
To be published
6IW7
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BU of 6iw7 by Molmil
structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
Descriptor: (2S)-2-benzamido-4-methyl-pentanoic acid, 4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, ATP-dependent Clp protease proteolytic subunit 1, ...
Authors:Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
Deposit date:2018-12-04
Release date:2020-01-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.692121 Å)
Cite:structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
To Be Published
6IK9
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BU of 6ik9 by Molmil
HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
Deposit date:2018-10-15
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.435 Å)
Cite:Active-site deformation in the structure of HIV-1 RT with HBV-associated septuple amino acid substitutions rationalizes the differential susceptibility of HIV-1 and HBV against 4'-modified nucleoside RT inhibitors.
Biochem. Biophys. Res. Commun., 509, 2019
6IVJ
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BU of 6ivj by Molmil
Crystal structure of a membrane protein G18A
Descriptor: ACETIC ACID, CHLORIDE ION, Ibestrophin, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
3SQV
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BU of 3sqv by Molmil
Crystal Structure of E. coli O157:H7 E3 ubiquitin ligase, NleL, with a human E2, UbcH7
Descriptor: GLYCEROL, SULFATE ION, Ubiquitin-conjugating enzyme E2 L3, ...
Authors:Lin, D.Y, Chen, J.
Deposit date:2011-07-06
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures of two bacterial HECT-like E3 ligases in complex with a human E2 reveal atomic details of pathogen-host interactions.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SSJ
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BU of 3ssj by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP
Descriptor: 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-07-08
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP
To be Published
3T2H
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BU of 3t2h by Molmil
Tetragonal thermolysin in the presence of TMAO
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T28
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BU of 3t28 by Molmil
TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Cahn, J, Venkat, M, Saxby, S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T2I
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BU of 3t2i by Molmil
Tetragonal thermolysin in the presence of sarcosine
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012

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