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6PDZ
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BU of 6pdz by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-06-19
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
2UX7
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BU of 2ux7 by Molmil
Pseudoazurin with engineered amicyanin ligand loop, reduced form, pH 7.5
Descriptor: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Velarde, M, Huber, R, Yanagisawa, S, Dennison, C, Messerschmidt, A.
Deposit date:2007-03-27
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Influence of loop shortening on the metal binding site of cupredoxin pseudoazurin.
Biochemistry, 46, 2007
2UX6
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BU of 2ux6 by Molmil
Pseudoazurin with engineered amicyanin ligand loop, oxidized form, pH 7.5
Descriptor: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
Authors:Velarde, M, Huber, R, Yanagisawa, S, Dennison, C, Messerschmidt, A.
Deposit date:2007-03-27
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Influence of Loop Shortening on the Metal Binding Site of Cupredoxin Pseudoazurin.
Biochemistry, 46, 2007
3I6Z
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BU of 3i6z by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
Authors:Lamba, D, Bartolucci, C.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
3UU3
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BU of 3uu3 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' oxidized mutant in a locally-closed conformation (LC1 subtype)
Descriptor: DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-11-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3UU6
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BU of 3uu6 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-22' mutant reduced in solution
Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-11-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
7XFW
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BU of 7xfw by Molmil
Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.07 A resolution.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Maurya, A, Singh, P.K, Viswanathan, V, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2022-04-02
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure of the complex of camel peptidoglycan recognition protein-S with hexanoic acid reveals novel features of the versatile ligand-binding site at the dimeric interface.
Biochim Biophys Acta Proteins Proteom, 1871, 2022
8IQU
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BU of 8iqu by Molmil
Structure of MtbFadD23 with PhU-AMS
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23
Authors:Yan, M.R, Zhang, W.
Deposit date:2023-03-17
Release date:2023-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 79, 2023
3UUB
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BU of 3uub by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' mutant reduced in solution
Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-11-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
7ZS8
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BU of 7zs8 by Molmil
Mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae at 1.4 Angstrom resolution
Descriptor: CALCIUM ION, Cytochrome-c peroxidase, HEME C, ...
Authors:Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C.
Deposit date:2022-05-06
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Characterization of Neisseria gonorrhoeae Bacterial Peroxidase-Insights into the Catalytic Cycle of Bacterial Peroxidases.
Int J Mol Sci, 24, 2023
7LD0
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BU of 7ld0 by Molmil
Cryo-EM structure of ligand-free Human SARM1
Descriptor: NAD(+) hydrolase SARM1
Authors:Nanson, J.D, Gu, W, Luo, Z, Jia, X, Landsberg, M.J, Kobe, B, Ve, T.
Deposit date:2021-01-12
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7LCY
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BU of 7lcy by Molmil
Crystal structure of the ligand-free ARM domain from Drosophila SARM1
Descriptor: Isoform B of NAD(+) hydrolase sarm1
Authors:Gu, W, Nanson, J.D, Luo, Z, McGuinness, H.Y, Manik, M.K, Jia, X, Ve, T, Kobe, B.
Deposit date:2021-01-12
Release date:2021-03-10
Last modified:2021-04-21
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
4GIQ
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BU of 4giq by Molmil
Crystal Structure of mouse RANK bound to RANKL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SODIUM ION, ...
Authors:Nelson, C.A, Wang, M.W.-H, Fremont, D.H.
Deposit date:2012-08-08
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RANKL Employs Distinct Binding Modes to Engage RANK and the Osteoprotegerin Decoy Receptor.
Structure, 20, 2012
7AU5
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BU of 7au5 by Molmil
Tubulin-noscapine-analogue-14e complex
Descriptor: (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J.
Deposit date:2020-11-02
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure.
Chemmedchem, 16, 2021
3GBW
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BU of 3gbw by Molmil
Crystal structure of the first PHR domain of the Mouse Myc-binding protein 2 (MYCBP-2)
Descriptor: E3 ubiquitin-protein ligase MYCBP2
Authors:Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Klemke, R.L, Miller, S.A, Bain, K.T, Rutter, M.E, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-02-20
Release date:2009-03-24
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
5NH3
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BU of 5nh3 by Molmil
CRYSTAL STRUCTURE OF THE Activin receptor type-2A LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2A, ...
Authors:Scheufler, C.
Deposit date:2017-03-21
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6QCI
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BU of 6qci by Molmil
Structure of XIAP-BIR1 V86E mutant
Descriptor: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
Authors:Sorrentino, L, Cossu, F, Milani, M, Mastrangelo, E.
Deposit date:2018-12-28
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
8QD2
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BU of 8qd2 by Molmil
Ayg1p in complex with 1,3-Dihydroxynaphthalene
Descriptor: Pigment biosynthesis protein yellowish-green 1, naphthalene-1,3-diol
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD3
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BU of 8qd3 by Molmil
Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene
Descriptor: 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ...
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QD4
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BU of 8qd4 by Molmil
Ayg1p active site converted to tetrahedral sulfonate ester
Descriptor: Pigment biosynthesis protein yellowish-green 1, phenylmethanesulfonic acid
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
7XP5
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BU of 7xp5 by Molmil
Cryo-EM structure of a class T GPCR in ligand-free state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
2N8T
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BU of 2n8t by Molmil
Solution Structure of the rNedd4 WW2 Domain-Cx43CT Peptide Complex by NMR
Descriptor: Cx43CT Peptide, E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2017-03-22
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
6X4G
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BU of 6x4g by Molmil
Crystal structure of ICOS in complex with ICOS-L and an anti ICOS-L VNAR domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ICOS ligand, ...
Authors:Rujas, E, Sicard, T, Julien, J.P.
Deposit date:2020-05-22
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies.
Nat Commun, 11, 2020
2UUQ
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BU of 2uuq by Molmil
Crystal structure of CYP130 from Mycobacterium tuberculosis in the ligand-free form
Descriptor: CYTOCHROME P450 130, ISOPROPYL ALCOHOL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M, Ortiz de Montellano, P.R.
Deposit date:2007-03-07
Release date:2007-12-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Mycobacterium Tuberculosis Cyp130:Crystal Mycobacterium Tuberculosis Cyp130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs.
J.Biol.Chem., 283, 2008
3UU4
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BU of 3uu4 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' mutant reduced in the crystal in a locally-closed conformation (LC1 subtype)
Descriptor: DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-11-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012

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