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1HFI
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BU of 1hfi by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
Descriptor: FACTOR H, 15TH C-MODULE PAIR
Authors:Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
Deposit date:1993-02-23
Release date:1993-07-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
4RUX
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BU of 4rux by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
Descriptor: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
1N32
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BU of 1n32 by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit bound to codon and near-cognate transfer RNA anticodon stem-loop mismatched at the first codon position at the a site with paromomycin
Descriptor: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Ogle, J.M, Murphy IV, F.V, Tarry, M.J, Ramakrishnan, V.
Deposit date:2002-10-25
Release date:2002-11-29
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Selection of tRNA by the Ribosome Requires a Transition from an Open to a Closed Form
Cell(Cambridge,Mass.), 111, 2002
4ZOT
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BU of 4zot by Molmil
Crystal structure of BbKI, a disulfide-free plasma kallikrein inhibitor at 1.4 A resolution
Descriptor: Kunitz-type serine protease inhibitor BbKI
Authors:Shabalin, I.G, Zhou, D, Wlodawer, A, Oliva, M.L.V.
Deposit date:2015-05-06
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of BbKI, a disulfide-free plasma kallikrein inhibitor.
Acta Crystallogr.,Sect.F, 71, 2015
1HXW
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BU of 1hxw by Molmil
HIV-1 PROTEASE DIMER COMPLEXED WITH A-84538
Descriptor: HIV-1 PROTEASE, RITONAVIR
Authors:Park, C.H, Nienaber, V, Kong, X.P.
Deposit date:1997-01-24
Release date:1998-02-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans.
Proc.Natl.Acad.Sci.USA, 92, 1995
5E5F
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BU of 5e5f by Molmil
X-ray structure of the complex between RNase A and compound 4-PF6 ([(PPh3)Au(mi-pbi)Pt(Me)(DMSO)][PF6]), the heterobimetallic derivative obtained in the reaction between the organometallic compound [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) and the gold(I) compound [Au(Ph3P)][PF6]
Descriptor: ACETATE ION, GOLD ION, Ribonuclease pancreatic, ...
Authors:Merlino, A.
Deposit date:2015-10-08
Release date:2015-12-09
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives.
Dalton Trans, 45, 2015
5AO9
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BU of 5ao9 by Molmil
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-native
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A.
Deposit date:2015-09-10
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Front.Microbiol., 6, 2015
5HPF
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BU of 5hpf by Molmil
Crystal Structure of the Double Mutant of PobR Transcription Factor Inducer Binding Domain from Acinetobacter
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Kim, Y, Tesar, C, Jedrejczak, R, Jha, R, Strauss, C.E.M, Joachimiak, A.
Deposit date:2016-01-20
Release date:2016-09-07
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.309 Å)
Cite:A microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factor.
Nucleic Acids Res., 44, 2016
5AGY
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BU of 5agy by Molmil
CRYSTAL STRUCTURE OF A TAU CLASS GST MUTANT FROM GLYCINE
Descriptor: 4-NITROPHENYL METHANETHIOL, GLUTATHIONE S-TRANSFERASE, PHOSPHATE ION, ...
Authors:Axarli, I, Muleta, A.W, Vlachakis, D, Kossida, S, Kotzia, G, Dhavala, P, Papageorgiou, A.C, Labrou, N.E.
Deposit date:2015-02-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Directed Evolution of Tau Class Glutathione Transferases Reveals a Site that Regulates Catalytic Efficiency and Masks Cooperativity.
Biochem.J., 473, 2016
5ACC
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BU of 5acc by Molmil
A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models
Descriptor: (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID, ESTROGEN RECEPTOR
Authors:Norman, R.A, Weir, H.M, Bradbury, R.H, Lawson, M, Rabow, A.A, Buttar, D, Callis, R.J, Curwen, J.O, de Almeida, C, Ballard, P, Hulse, M, Donald, C.S, Feron, L.J.L, Gingell, H, Karoutchi, G, MacFaul, P, Moss, T, Pearson, S.E, Tonge, M, Davies, G, Walker, G.E, Wilson, Z, Rowlinson, R, Powell, S, Hemsley, P, Linney, E, Campbell, H, Ghazoui, Z, Sadler, C, Richmond, G, Pazolli, E, Mazzola, A.M, DCruz, C, De Savi, C.
Deposit date:2015-08-15
Release date:2015-12-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
6EGO
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BU of 6ego by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing an Ala Residue in the Second Coordination Sphere of the Hg(II)S3 Binding Site
Descriptor: Hg(II)(GRAND CoilSerL12AL16C)3-, MERCURY (II) ION, ZINC ION
Authors:Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2018-08-20
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
5AOB
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BU of 5aob by Molmil
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-butyrate bound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A.
Deposit date:2015-09-10
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Front.Microbiol., 6, 2015
5AOC
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BU of 5aoc by Molmil
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-valerate bound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A.
Deposit date:2015-09-10
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Front.Microbiol., 6, 2015
5AOA
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BU of 5aoa by Molmil
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-Propionate bound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sayer, C, Szabo, Z, Isupov, M.N, Ingham, C, Littlechild, J.A.
Deposit date:2015-09-10
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The Structure of a Novel Thermophilic Esterase from the Planctomycetes Species, Thermogutta Terrifontis Reveals an Open Active Site due to a Minimal 'CAP' Domain.
Front.Microbiol., 6, 2015
7BNT
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BU of 7bnt by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted ancestral HMA domain of Pik-1 from Oryza spp.
Descriptor: 1,2-ETHANEDIOL, AVR-Pik protein, Predicted ancestral HMA domain of Pik-1 from Oryza spp.
Authors:Bialas, A, Langner, T, Harant, A, Contreras, M.P, Stevenson, C.E.M, Lawson, D.M, Sklenar, J, Kellner, R, Moscou, M.J, Terauchi, R, Banfield, M.J, Kamoun, S.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Two NLR immune receptors acquired high-affinity binding to a fungal effector through convergent evolution of their integrated domain.
Elife, 10, 2021
7BW2
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BU of 7bw2 by Molmil
Crystal Structure of Cyanobacterial PSI Monomer from T.elongatus at 6.5 A Resolution
Descriptor: Photosystem I 4.8K protein, Photosystem I P700 chlorophyll a apoprotein A1, Photosystem I P700 chlorophyll a apoprotein A2, ...
Authors:Kurisu, G, Coruh, O, Tanaka, H, Eithar, E.M, Mian, Y.
Deposit date:2020-04-13
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Cryo-EM structure of a functional monomeric Photosystem I from Thermosynechococcus elongatus reveals red chlorophyll cluster.
Commun Biol, 4, 2021
7JP2
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BU of 7jp2 by Molmil
Crystal structure of TP0037 from Treponema pallidum, a D-lactate dehydrogenase
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, D-lactate dehydrogenase
Authors:Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2020-08-07
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Biophysical and Biochemical Characterization of TP0037, a d-Lactate Dehydrogenase, Supports an Acetogenic Energy Conservation Pathway in Treponema pallidum.
Mbio, 11, 2020
4YE1
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BU of 4ye1 by Molmil
A cytochrome c plus calixarene structure - alternative ligand binding mode
Descriptor: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, GLYCEROL, ...
Authors:Mallon, M.M, McGovern, R.E, McCarty, A.A, Crowley, P.B.
Deposit date:2015-02-23
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A cytochrome c-calixarene structure
To Be Published
5E5E
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BU of 5e5e by Molmil
X-ray structure of the adduct formed in the reaction between RNase A and a neutral organometallic derivative [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3)
Descriptor: DIMETHYL SULFOXIDE, PLATINUM (II) ION, Ribonuclease pancreatic
Authors:Merlino, A.
Deposit date:2015-10-08
Release date:2015-12-09
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives.
Dalton Trans, 45, 2015
4XLR
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BU of 4xlr by Molmil
Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA
Descriptor: CarD-like transcriptional regulator, DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
1HLL
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BU of 1hll by Molmil
NMR STRUCTURE OF T3-I2, A 32 RESIDUE PEPTIDE FROM THE ALPHA-2A ADRENERGIC RECEPTOR
Descriptor: ALPHA-2A ADRENERGIC RECEPTOR
Authors:Chung, D.A, Zuiderweg, E.R.P, Neubig, R.R.
Deposit date:2000-12-01
Release date:2002-04-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the second intracellular loop of the alpha 2A adrenergic receptor: evidence for a novel cytoplasmic helix.
Biochemistry, 41, 2002
1HOF
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BU of 1hof by Molmil
NMR STRUCTURE OF T3-I2, A 32 RESIDUE PEPTIDE FROM THE ALPHA-2A ADRENERGIC RECEPTOR
Descriptor: ALPHA-2A ADRENERGIC RECEPTOR
Authors:Chung, D.A, Zuiderweg, E.R, Neubig, R.R.
Deposit date:2000-12-10
Release date:2002-07-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the second intracellular loop of the alpha 2A adrenergic receptor: evidence for a novel cytoplasmic helix.
Biochemistry, 41, 2002
6H4C
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BU of 6h4c by Molmil
A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature.
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A.
Deposit date:2018-07-20
Release date:2019-08-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
6H48
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BU of 6h48 by Molmil
A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature.
Descriptor: Orf20
Authors:Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A.
Deposit date:2018-07-20
Release date:2019-08-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
6H49
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BU of 6h49 by Molmil
A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature.
Descriptor: Orf20, SULFATE ION
Authors:Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A.
Deposit date:2018-07-20
Release date:2019-08-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019

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