6GQ9
 
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5OBD
 | | X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole | | Descriptor: | PHOSPHATE ION, Ribonuclease pancreatic, tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium | | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | | Deposit date: | 2017-06-26 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
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7W5U
 | | Acetyl-CoA Carboxylase-AccB | | Descriptor: | Acetyl-CoA carboxylase complex, beta-chain, GLYCEROL, ... | | Authors: | Ali, I, Zheng, J. | | Deposit date: | 2021-11-30 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of Acetyl-CoA carboxylase (AccB) from Streptomyces antibioticus and insights into the substrate-binding through in silico mutagenesis and biophysical investigations.
Comput Biol Med, 145, 2022
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6D73
 | | Cryo-EM structure of the zebrafish TRPM2 channel in the presence of Ca2+ | | Descriptor: | CALCIUM ION, Transient receptor potential cation channel, subfamily M | | Authors: | Yin, Y, Wu, M, Borschel, W.F, Lander, G.C, Lee, S.-Y. | | Deposit date: | 2018-04-23 | | Release date: | 2019-05-15 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
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6LW5
 | | Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm | | Descriptor: | CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV | | Authors: | Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B. | | Deposit date: | 2020-02-07 | | Release date: | 2020-03-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of ligand binding modes at the human formyl peptide receptor 2.
Nat Commun, 11, 2020
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6E1S
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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6E1T
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, MAGNESIUM ION, ... | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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6E1U
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 2: 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine | | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine, MAGNESIUM ION, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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1IW2
 | | X-ray structure of Human Complement Protein C8gamma at pH=7.O | | Descriptor: | Complement Protein C8gamma | | Authors: | Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L. | | Deposit date: | 2002-04-11 | | Release date: | 2002-06-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
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4DIL
 | | Flavo Di-iron protein H90N mutant from Thermotoga maritima | | Descriptor: | CHLORIDE ION, FLAVOPROTEIN, MU-OXO-DIIRON | | Authors: | Fang, H, Caranto, J.D, Taylor, A.B, Hart, P.J, Kurtz, D.M. | | Deposit date: | 2012-01-31 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Histidine ligand variants of a flavo-diiron protein: effects on structure and activities.
J.Biol.Inorg.Chem., 17, 2012
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1YE0
 | | T-To-T(High) quaternary transitions in human hemoglobin: betaV33A oxy (2MM IHP, 20% PEG) (1 test set) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2004-12-27 | | Release date: | 2005-01-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1YIH
 | | T-to-T(High) quaternary transitions in human hemoglobin: betaP100A oxy (2.2MM IHP, 20% PEG) (1 test set) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2005-01-11 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1YHE
 | | T-To-T(High) quaternary transitions in human hemoglobin: HbA OXY (5.0MM IHP, 20% PEG) (10 test sets) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2005-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1YH9
 | | T-to-T(High) quaternary transitions in human hemoglobin: HbA OXY (2MM IHP, 20% PEG) (10 test sets) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2005-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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5O75
 | | Ube4B U-box domain | | Descriptor: | SULFATE ION, Ubiquitin conjugation factor E4 B | | Authors: | Gabrielsen, M, Buetow, L, Nakasone, M.A, Huang, D.T. | | Deposit date: | 2017-06-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
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1NQ0
 | | TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD | | Descriptor: | ARSENIC, Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | | Authors: | Huber, B.R, Desclozeaux, M, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Baxter, J.D, Ingraham, H.A, Fletterick, R.J. | | Deposit date: | 2003-01-20 | | Release date: | 2003-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Thyroid hormone receptor-beta mutations conferring hormone resistance and reduced corepressor release exhibit decreased stability in the N-terminal ligand-binding domain
Mol.Endocrinol., 17, 2003
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6MWZ
 | | LasR LBD T75V/Y93F/A127W:BB0126 | | Descriptor: | 4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide, ALA-HIS-HIS-HIS-HIS-ALA, Transcriptional regulator LasR | | Authors: | Bassler, B.L, Paczkowski, J.E. | | Deposit date: | 2018-10-30 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.657 Å) | | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
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4DLD
 | | Crystal structure of the GluK1 ligand-binding domain (S1S2) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 2.0 A resolution | | Descriptor: | (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2012-02-06 | | Release date: | 2012-10-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and pharmacological characterization of phenylalanine-based AMPA receptor antagonists at kainate receptors
Chemmedchem, 7, 2012
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1A5O
 | | K217C VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL | | Descriptor: | FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ... | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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1A5N
 | | K217A VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL | | Descriptor: | FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ... | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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1A5K
 | | K217E VARIANT OF KLEBSIELLA AEROGENES UREASE | | Descriptor: | UREASE (ALPHA SUBUNIT), UREASE (BETA SUBUNIT), UREASE (GAMMA SUBUNIT) | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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1A5L
 | | K217C VARIANT OF KLEBSIELLA AEROGENES UREASE | | Descriptor: | UREASE (ALPHA SUBUNIT), UREASE (BETA SUBUNIT), UREASE (GAMMA SUBUNIT) | | Authors: | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | | Deposit date: | 1998-02-17 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
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6SRI
 | | Structure of the Fanconi anaemia core complex | | Descriptor: | Fanconi anaemia protein FANCL, Unassigned secondary structure elements (base region, proposed FANCC-FANC-E-FANCF), ... | | Authors: | Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A. | | Deposit date: | 2019-09-05 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of the Fanconi anaemia monoubiquitin ligase complex.
Nature, 575, 2019
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4IRW
 | | Co-crystallization of streptavidin-biotin complex with a lanthanide-ligand complex gives rise to a novel crystal form | | Descriptor: | BIOTIN, PYRIDINE-2,6-DICARBOXYLIC ACID, SODIUM ION, ... | | Authors: | Bandara, R.A.M.S.S, Liu, D.Q, Hindupur, A, Tesh, K.F, Fox, R.O. | | Deposit date: | 2013-01-15 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.396 Å) | | Cite: | Co-crystallization of streptavidin-biotin complex with a lanthanide-ligand complex gives rise to a novel crystal form
To be Published
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7TX5
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