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3NZX
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BU of 3nzx by Molmil
Crystal structure of the yeast 20S proteasome in complex with ligand 2c
Descriptor: Proteasome component C1, Proteasome component C11, Proteasome component C5, ...
Authors:Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M.
Deposit date:2010-07-17
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
4IVP
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BU of 4ivp by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20
Descriptor: 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-01-23
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
3H4Q
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BU of 3h4q by Molmil
Crystal structure of putative acetyltransferase (NP_371943.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.50 A resolution
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, UNKNOWN LIGAND, putative acetyltransferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-20
Release date:2009-05-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of putative acetyltransferase (NP_371943.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.50 A resolution
To be published
5KRB
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BU of 5krb by Molmil
GCNF DNA Binding Domain - Oct4 DR0 Complex
Descriptor: DNA (5'-D(*AP*GP*AP*GP*GP*TP*CP*AP*AP*GP*GP*CP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*GP*CP*CP*TP*TP*GP*AP*CP*CP*TP*CP*T)-3'), Nuclear receptor subfamily 6 group A member 1, ...
Authors:Weikum, E.R, Ortlund, E.A.
Deposit date:2016-07-07
Release date:2016-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:A Structural Investigation into Oct4 Regulation by Orphan Nuclear Receptors, Germ Cell Nuclear Factor (GCNF), and Liver Receptor Homolog-1 (LRH-1).
J. Mol. Biol., 428, 2016
5X2U
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BU of 5x2u by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 80 mM phosphate pH 6.7.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
5KX2
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BU of 5kx2 by Molmil
NMR Solution Structure of Designed Peptide NC_cEE_D1
Descriptor: Designed peptide NC_cEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
3GZI
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BU of 3gzi by Molmil
CRYSTAL STRUCTURE OF a transcriptional regulator of the tetR family (SHEW_3567) FROM SHEWANELLA LOIHICA PV-4 AT 2.05 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, Transcriptional regulator, TetR family, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-07
Release date:2009-04-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of TETR family transcriptional regulator (YP_001095692.1) from SHEWANELLA SP. PV-4 at 2.05 A resolution
To be published
4JBX
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BU of 4jbx by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with SK-78
Descriptor: 1,2-ETHANEDIOL, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ...
Authors:Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
5X2R
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BU of 5x2r by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 10 mM phosphate pH 6.9.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
2YB6
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BU of 2yb6 by Molmil
Native human Rad6
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, UBIQUITIN-CONJUGATING ENZYME E2 B
Authors:Hibbert, R.G, Sixma, T.K.
Deposit date:2011-03-02
Release date:2011-04-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:E3 Ligase Rad18 Promotes Monoubiquitination Rather Than Ubiquitin Chain Formation by E2 Enzyme Rad6.
Proc.Natl.Acad.Sci.USA, 108, 2011
3KMR
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BU of 3kmr by Molmil
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
Descriptor: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Bourguet, W, Teyssier, C.
Deposit date:2009-11-11
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
5KWZ
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BU of 5kwz by Molmil
NMR Solution Structure of Designed Peptide NC_cHH_D1
Descriptor: Designed peptide NC_cHH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5X2T
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BU of 5x2t by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 7.2.
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
5L8R
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BU of 5l8r by Molmil
The structure of plant photosystem I super-complex at 2.6 angstrom resolution.
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Mazor, Y, Borovikova, A, Caspy, I, Nelson, N.
Deposit date:2016-06-08
Release date:2017-03-15
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the plant photosystem I supercomplex at 2.6 angstrom resolution.
Nat Plants, 3, 2017
7VUG
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BU of 7vug by Molmil
Cryo-EM structure of a class A orphan GPCR in complex with Gi
Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J.
Deposit date:2021-11-02
Release date:2021-12-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
7VUH
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BU of 7vuh by Molmil
Cryo-EM structure of a class A orphan GPCR
Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, 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, Zhou, Y.L, Wu, L.J.
Deposit date:2021-11-02
Release date:2021-12-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
7VUJ
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BU of 7vuj by Molmil
Cryo-EM structure of a class A orphan GPCR
Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J.
Deposit date:2021-11-02
Release date:2021-12-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
7VUI
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BU of 7vui by Molmil
Cryo-EM structure of a class A orphan GPCR
Descriptor: 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J.
Deposit date:2021-11-02
Release date:2021-12-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
1AZ4
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BU of 1az4 by Molmil
ECORV ENDONUCLEASE, UNLIGANDED, FORM B, T93A MUTANT
Descriptor: ECORV ENDONUCLEASE
Authors:Perona, J, Martin, A.
Deposit date:1997-11-24
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational transitions and structural deformability of EcoRV endonuclease revealed by crystallographic analysis.
J.Mol.Biol., 273, 1997
3GQQ
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BU of 3gqq by Molmil
Crystal structure of the human retinal protein 4 (unc-119 homolog A). Northeast Structural Genomics Consortium target HR3066a
Descriptor: Protein unc-119 homolog A, UNKNOWN LIGAND
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Crystal structure of the human retinal protein 4 (unc-119 homolog A).
To be Published
7DE2
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BU of 7de2 by Molmil
iron and alpha-ketoglutarate-dependent endoperoxidase NvfI
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, NvfI, ...
Authors:Zhai, R, Mori, T, Abe, I.
Deposit date:2020-11-01
Release date:2021-07-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Nat Commun, 12, 2021
4XHD
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BU of 4xhd by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1
Descriptor: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2
Authors:Khan, J.A, Camac, D.M.
Deposit date:2015-01-05
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
5X2S
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BU of 5x2s by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 6.5.
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
4KEG
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BU of 4keg by Molmil
Crystal Structure of MBP Fused Human SPLUNC1
Descriptor: MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein, octyl beta-D-glucopyranoside
Authors:Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G.
Deposit date:2013-04-25
Release date:2014-04-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Lipid Ligands of the SPLUNC1 Protein
To be Published
3TZS
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BU of 3tzs by Molmil
Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
Descriptor: 1,2-ETHANEDIOL, 1-phenylurea, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-27
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be published, 7

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