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6UML
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BU of 6uml by Molmil
Structural Basis for Thalidomide Teratogenicity Revealed by the Cereblon-DDB1-SALL4-Pomalidomide Complex
Descriptor: DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
Authors:Clayton, T.L, Matyskiela, M.E, Pagarigan, B.E, Tran, E.T, Chamberlain, P.P.
Deposit date:2019-10-09
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Crystal structure of the SALL4-pomalidomide-cereblon-DDB1 complex.
Nat.Struct.Mol.Biol., 27, 2020
5X8U
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BU of 5x8u by Molmil
Crystal Structure of the wild Human ROR gamma Ligand Binding Domain.
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
5X8Q
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BU of 5x8q by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin.
Descriptor: (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
7SIR
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BU of 7sir by Molmil
Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate ligase from Acinetobacter baumannii AB5075-UW
Descriptor: FORMIC ACID, UDP-N-acetylmuramoylalanine--D-glutamate ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-14
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate ligase from Acinetobacter baumannii AB5075-UW
to be published
5IKB
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BU of 5ikb by Molmil
Crystal structure of the kainate receptor GluK4 ligand binding domain in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Kristensen, O, Kristensen, L.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-03-03
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of a High-Affinity Kainate Receptor: GluK4 Ligand-Binding Domain Crystallized with Kainate.
Structure, 24, 2016
7NLD
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BU of 7nld by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1
Authors:Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A.
Deposit date:2021-02-22
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
5X8W
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BU of 5x8w by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain.
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
1R20
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BU of 1r20 by Molmil
Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI06830
Descriptor: ECDYSONE RECEPTOR, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE, ...
Authors:Billas, I.M.L, Iwema, T, Garnier, J.M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2003-09-25
Release date:2003-11-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor.
Nature, 426, 2003
8G2W
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BU of 8g2w by Molmil
Cryo-EM structure of 3DVA component 2 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
Descriptor: DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-02-06
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G1S
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BU of 8g1s by Molmil
Cryo-EM structure of 3DVA component 1 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
Descriptor: DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-02-02
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
8G8Z
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BU of 8g8z by Molmil
Cryo-EM structure of 3DVA component 1 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-MER), ...
Authors:Porta, J.C, Ohi, M.D, Walter, N.G, Frank, A.T, Deb, I, Meze, K.
Deposit date:2023-02-20
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
4ZNS
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BU of 4zns by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative
Descriptor: 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
8G7E
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BU of 8g7e by Molmil
Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-mer), ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-02-16
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
4ZNU
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BU of 4znu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative
Descriptor: 2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNW
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BU of 4znw by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative
Descriptor: 4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZLS
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BU of 4zls by Molmil
HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand)
Descriptor: ACETATE ION, CHLORIDE ION, Protease, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2015-05-01
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies.
J.Med.Chem., 58, 2015
4ZNH
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BU of 4znh by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative
Descriptor: 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-04
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNT
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BU of 4znt by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Bromo-substituted OBHS derivative
Descriptor: 3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
1HPB
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BU of 1hpb by Molmil
THE BACTERIAL PERIPLASMIC HISTIDINE-BINDING PROTEIN: STRUCTURE(SLASH)FUNCTION ANALYSIS OF THE LIGAND-BINDING SITE AND COMPARISON WITH RELATED PROTEINS
Descriptor: HISTIDINE, HISTIDINE-BINDING PROTEIN
Authors:Kim, S.H, Oh, B.H.
Deposit date:1993-09-30
Release date:1995-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The bacterial periplasmic histidine-binding protein. structure/function analysis of the ligand-binding site and comparison with related proteins.
J.Biol.Chem., 269, 1994
8G00
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BU of 8g00 by Molmil
Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand
Descriptor: DNA (31-MER), DNA (39-mer), DNA-directed RNA polymerase subunit alpha, ...
Authors:Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G.
Deposit date:2023-01-31
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
2JO9
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BU of 2jo9 by Molmil
Mouse Itch 3rd WW domain complex with the Epstein-Barr virus latent membrane protein 2A derived peptide EEPPPPYED
Descriptor: Itchy E3 ubiquitin protein ligase, Latent membrane protein 2
Authors:Macias, M.J, Shaw, A.Z, Martin-Malpartida, P, Morales, B, Ruiz, L, Ramirez-Espain, X, Yraola, F, Royo, M.
Deposit date:2007-03-01
Release date:2007-04-17
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:NMR Structural Studies of the ItchWW3 Domain Reveal that Phosphorylation at T30 Inhibits the Interaction with PPxY-Containing Ligands
Structure, 15, 2007
8TM2
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BU of 8tm2 by Molmil
Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Rupert, P.B, Strong, R.
Deposit date:2023-07-27
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys.
Heliyon, 10, 2024
4ZNV
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BU of 4znv by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative
Descriptor: 2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
8TM0
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BU of 8tm0 by Molmil
Preclinical Characterization of Pan-NKG2D Ligand-Binding NKG2D Receptor Decoys
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class I polypeptide-related sequence A, ...
Authors:Rupert, P.B, Strong, R.
Deposit date:2023-07-27
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.83 Å)
Cite:Preclinical characterization of Pan-NKG2D ligand-binding NKG2D receptor decoys.
Heliyon, 10, 2024
1R1K
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BU of 1r1k by Molmil
Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to ponasterone A
Descriptor: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone receptor, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Billas, I.M.L, Iwema, T, Garnier, J.-M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2003-09-24
Release date:2003-11-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor.
Nature, 426, 2003

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