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2UZC
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BU of 2uzc by Molmil
Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5
Authors:Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D.
Deposit date:2007-04-27
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms.
Protein Sci., 19, 2010
7Q3Y
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BU of 7q3y by Molmil
Structure of full-length, monomeric, soluble somatic angiotensin I-converting enzyme showing the N- and C-terminal ellipsoid domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Lubbe, L, Sewell, B.T, Sturrock, E.D.
Deposit date:2021-10-29
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
7Q4C
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BU of 7q4c by Molmil
Local refinement structure of the C-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Lubbe, L, Sewell, B.T, Sturrock, E.D.
Deposit date:2021-10-30
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
8PXG
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BU of 8pxg by Molmil
Structure of Streptactin, solved at wavelength 2.75 A
Descriptor: CHLORIDE ION, GLYCEROL, Streptavidin
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
5CUF
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BU of 5cuf by Molmil
X-ray crystal structure of SeMet human Sestrin2
Descriptor: Sestrin-2
Authors:Kim, H, An, S, Ro, S.-H, Lee, J.H, Cho, U.-S.
Deposit date:2015-07-24
Release date:2016-01-13
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Janus-faced Sestrin2 controls ROS and mTOR signalling through two separate functional domains.
Nat Commun, 6, 2015
4WVO
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BU of 4wvo by Molmil
An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1
Descriptor: (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, MAGNESIUM ION, ...
Authors:Peterson, F.C, Volkman, B.F, Cutler, S.R.
Deposit date:2014-11-06
Release date:2015-02-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Agrochemical control of plant water use using engineered abscisic acid receptors.
Nature, 520, 2015
6GAZ
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BU of 6gaz by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 28S ribosomal subunit.
Descriptor: 12S ribosomal RNA, mitochondrial, 28S ribosomal protein S18b, ...
Authors:Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
Deposit date:2018-04-13
Release date:2018-08-08
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
7U1B
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BU of 7u1b by Molmil
Crystal structure of EstG in complex with tantalum cluster
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, Beta-lactamase domain-containing protein, ...
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
5G4Z
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BU of 5g4z by Molmil
Structural basis for carboxylic acid recognition by a Cache chemosensory domain.
Descriptor: Methyl-accepting chemotaxis sensory transducer with Cache sensor, TRIETHYLENE GLYCOL, UNKNOWN LIGAND
Authors:Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L.
Deposit date:2016-05-18
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae.
Sci Rep, 6, 2016
5DIQ
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BU of 5diq by Molmil
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
Descriptor: 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-01
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJP
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BU of 5djp by Molmil
Crystal structure of human FPPS in complex with biaryl compound 5
Descriptor: 4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
Descriptor: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
5DJR
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BU of 5djr by Molmil
Crystal structure of human FPPS in complex with biaryl compound 6
Descriptor: 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
4DRW
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BU of 4drw by Molmil
Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide
Descriptor: Neuroblast differentiation-associated protein AHNAK, Protein S100-A10/Annexin A2 chimeric protein
Authors:Rezvanpour, A, Lee, T.-W, Junop, M.S, Shaw, G.S.
Deposit date:2012-02-17
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of an asymmetric ternary protein complex provides insight for membrane interaction.
Structure, 20, 2012
3KF9
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BU of 3kf9 by Molmil
Crystal structure of the SdCen/skMLCK complex
Descriptor: CALCIUM ION, Caltractin, Myosin light chain kinase 2, ...
Authors:Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T.
Deposit date:2009-10-27
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural features of the complexes formed by Scherffelia dubia centrin
To be Published
3P27
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BU of 3p27 by Molmil
Crystal structure of S. cerevisiae Hbs1 protein (GDP-bound form), a translational GTPase involved in RNA quality control pathways and interacting with Dom34/Pelota
Descriptor: Elongation factor 1 alpha-like protein, GUANOSINE-5'-DIPHOSPHATE
Authors:van den Elzen, A, Henri, J, Lazar, N, Gas, M.E, Durand, D, Lacroute, F, Nicaise, M, van Tilbeurgh, H, Sraphin, B, Graille, M, Paris-Sud Yeast Structural Genomics (YSG)
Deposit date:2010-10-01
Release date:2010-11-17
Last modified:2012-03-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Dissection of Dom34-Hbs1 reveals independent functions in two RNA quality control pathways.
Nat.Struct.Mol.Biol., 17, 2010
5KVQ
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BU of 5kvq by Molmil
NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica
Descriptor: 1,2-ETHANEDIOL, Irp3 protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2016-07-15
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis.
Biochemistry, 55, 2016
5EBK
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BU of 5ebk by Molmil
Trypanothione reductase in complex with 6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4-amine
Descriptor: 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Ilari, A, Angiulli, G.
Deposit date:2015-10-19
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives.
J Enzyme Inhib Med Chem, 32, 2017
2BRA
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BU of 2bra by Molmil
Structure of N-Terminal FAD Binding motif of mouse MICAL
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NEDD9 INTERACTING PROTEIN WITH CALPONIN HOMOLOGY AND LIM DOMAINS
Authors:Nadella, M, Bianchet, M.A, Gabelli, S.B, Amzel, L.M.
Deposit date:2005-05-04
Release date:2005-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and activity of the axon guidance protein MICAL.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
1IH7
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BU of 1ih7 by Molmil
High-Resolution Structure of Apo RB69 DNA Polymerase
Descriptor: DNA POLYMERASE, GUANOSINE, POTASSIUM ION
Authors:Franklin, M.C, Wang, J, Steitz, T.A.
Deposit date:2001-04-18
Release date:2001-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of the Replicating Complex of a Pol alpha Family DNA Polymerase
Cell(Cambridge,Mass.), 105, 2001
5LG5
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BU of 5lg5 by Molmil
Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR
Descriptor: Allantoin racemase
Authors:Cendron, l, Zanotti, G, Percudani, R, Ragazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A.
Deposit date:2016-07-06
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
3OXI
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BU of 3oxi by Molmil
Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the Treatment of Neurodegenerative Diseases
Descriptor: Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
Authors:Hom, R.K, Bowers, S, Sealy, J, Truong, A, Probst, G.D, Neitzel, M, Neitz, J, Fang, L, Brogley, L, Wu, J, Konradi, A.W, Sham, H, Toth, G, Pan, H, Yao, N, Artis, D.R.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
Bioorg.Med.Chem.Lett., 20, 2010
5LMC
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BU of 5lmc by Molmil
Oxidized flavodiiron core of Escherichia coli flavorubredoxin, including the Fe-4SG atoms from its rubredoxin domain
Descriptor: ACETIC ACID, Anaerobic nitric oxide reductase flavorubredoxin, CACODYLATE ION, ...
Authors:Romao, C.V, Borges, P.T, Vicente, J.B, Carrondo, M.A, Teixeira, M, Frazao, C.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase.
J.Mol.Biol., 428, 2016
1C1B
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BU of 1c1b by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186
Descriptor: 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
Authors:Hopkins, A.L, Ren, J, Tanaka, H, Baba, B, Okamato, M, Stuart, D.I, Stammers, D.K.
Deposit date:1999-07-21
Release date:2000-07-21
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
3POR
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BU of 3por by Molmil
PORIN CONFORMATION IN THE ABSENCE OF CALCIUM; REFINED STRUCTURE AT 2.5 ANGSTROMS RESOLUTION
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PORIN
Authors:Weiss, M.S, Schulz, G.E.
Deposit date:1992-11-09
Release date:1993-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Porin conformation in the absence of calcium. Refined structure at 2.5 A resolution.
J.Mol.Biol., 231, 1993

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