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7AM7
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BU of 7am7 by Molmil
Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D
Descriptor: Eglin C fragment, GLYCEROL, SULFATE ION, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7B74
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BU of 7b74 by Molmil
Chimeric Streptavidin With A Dimerization Domain For Artificial Transfer Hydrogenation
Descriptor: Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2020-12-09
Release date:2021-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation.
Faraday Disc.Chem.Soc, 2023
5BVQ
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BU of 5bvq by Molmil
Ligand-unbound pFABP4
Descriptor: fatty acid-binding protein
Authors:Lee, J.H, Lee, C.W, Do, H.
Deposit date:2015-06-05
Release date:2015-08-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Biochem.Biophys.Res.Commun., 465, 2015
6ZGK
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BU of 6zgk by Molmil
GLIC pentameric ligand-gated ion channel, pH 3
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
6ZGD
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BU of 6zgd by Molmil
GLIC pentameric ligand-gated ion channel, pH 7
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
6ZGJ
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BU of 6zgj by Molmil
GLIC pentameric ligand-gated ion channel, pH 5
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
8GCQ
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BU of 8gcq by Molmil
SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Yeh, S.-R, Rousseau, D.L.
Deposit date:2023-03-02
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural insights into functional properties of the oxidized form of cytochrome c oxidase.
Nat Commun, 14, 2023
6V0B
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BU of 6v0b by Molmil
Unliganded ELIC in POPC-only nanodiscs.
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Grosman, C, Kumar, P.
Deposit date:2019-11-18
Release date:2020-01-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
1VRK
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BU of 1vrk by Molmil
THE 1.9 ANGSTROM STRUCTURE OF E84K-CALMODULIN RS20 PEPTIDE COMPLEX
Descriptor: ACETATE ION, CALCIUM ION, CALMODULIN, ...
Authors:Weigand, S, Anderson, W.F.
Deposit date:1997-09-24
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of the functional coupling between calmodulin's calcium binding and peptide recognition properties.
Biochemistry, 38, 1999
4ZXG
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BU of 4zxg by Molmil
Ligandin binding site of PfGST
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Glutathione S-transferase, ...
Authors:Perbandt, M, Eberle, R, Betzel, C.
Deposit date:2015-05-20
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution structures of Plasmodium falciparum GST complexes provide novel insights into the dimer-tetramer transition and a novel ligand-binding site.
J.Struct.Biol., 191, 2015
6FSY
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BU of 6fsy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Conway, S.J, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC)
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
6FT4
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BU of 6ft4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
6YBM
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BU of 6ybm by Molmil
Scaffold-ligand complex with ligand unmodelled.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Zacharchenko, T, Lian, L.Y.
Deposit date:2020-03-17
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Scaffold-ligand complex with ligand unmodelled.
To Be Published
7PQU
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BU of 7pqu by Molmil
Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563)
Descriptor: 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1
Authors:Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W.
Deposit date:2021-09-20
Release date:2022-08-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
6GL7
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BU of 6gl7 by Molmil
Neurturin-GFRa2-RET extracellular complex
Descriptor: GDNF family receptor alpha-2, Neurturin, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Bigalke, J.M, Aibara, S, Sandmark, J, Amunts, A.
Deposit date:2018-05-23
Release date:2019-08-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Cryo-EM structure of the activated RET signaling complex reveals the importance of its cysteine-rich domain.
Sci Adv, 5, 2019
7JGJ
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BU of 7jgj by Molmil
IgA1 Protease in complex with neutralizing mAb
Descriptor: Immunoglobulin A1 protease, mAB Heavy Chain, mAB Light Chain
Authors:Eisenmesser, E.Z, Zheng, H.
Deposit date:2020-07-19
Release date:2020-12-09
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease
Nat Commun, 11, 2020
1HJX
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BU of 1hjx by Molmil
Ligand-induced signalling and conformational change of the 39 kD glycoprotein from human articular chondrocytes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3 LIKE PROTEIN 1, GLYCEROL, ...
Authors:Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
Deposit date:2003-02-28
Release date:2003-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes
J.Biol.Chem., 278, 2003
5LTO
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BU of 5lto by Molmil
Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Gln
Descriptor: GLUTAMINE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.459 Å)
Cite:How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5LT9
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BU of 5lt9 by Molmil
Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg
Descriptor: ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
Deposit date:2016-09-06
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5MJ6
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BU of 5mj6 by Molmil
Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P.
Deposit date:2016-11-30
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.
J. Med. Chem., 60, 2017
2Y2Z
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BU of 2y2z by Molmil
ligand-free form of TetR-like repressor SimR
Descriptor: PUTATIVE REPRESSOR SIMREG2
Authors:Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J.
Deposit date:2010-12-17
Release date:2011-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression.
J.Mol.Biol., 408, 2011
1JGY
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BU of 1jgy by Molmil
Photosynthetic Reaction Center Mutant With Tyr M 76 Replaced With Phe
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Camara-Artigas, A, Magee, C.L, Williams, J.C, Allen, J.P.
Deposit date:2001-06-27
Release date:2001-09-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Individual interactions influence the crystalline order for membrane proteins.
Acta Crystallogr.,Sect.D, 57, 2001
1JGX
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BU of 1jgx by Molmil
Photosynthetic Reaction Center Mutant With Thr M 21 Replaced With Asp
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Camara-Artigas, A, Magee, C.L, Williams, J.C, Allen, J.P.
Deposit date:2001-06-27
Release date:2001-09-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Individual interactions influence the crystalline order for membrane proteins.
Acta Crystallogr.,Sect.D, 57, 2001
4UA9
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BU of 4ua9 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UAA
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BU of 4uaa by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015

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