6Z4V
 
 | | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with NTS8-13 | | Descriptor: | ARG-PRO-TYR-ILE-LEU, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-05-25 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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6YVR
 | | Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13 | | Descriptor: | Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin crystallisation chaperone, neurotensin NTS8-13 (full agonist), nonyl beta-D-glucopyranoside | | Authors: | Deluigi, M, Merklinger, L, Hilge, M, Ernst, P, Klipp, A, Klenk, C, Plueckthun, A. | | Deposit date: | 2020-04-28 | | Release date: | 2021-02-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.458 Å) | | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
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1CUY
 | | CUTINASE, L189F MUTANT | | Descriptor: | CUTINASE | | Authors: | Longhi, S, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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4NXQ
 | | Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Caspr4 Peptide | | Descriptor: | Contactin-associated protein-like 4 peptide, T-lymphoma invasion and metastasis-inducing protein 1 | | Authors: | Liu, X, Speckhard, D.C, Shepherd, T.R, Hengel, S.R, Fuentes, E.J. | | Deposit date: | 2013-12-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
Structure, 24, 2016
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6F83
 | | Crystal Structure of Human Galectin-1 in Complex With Thienyl-1,2, 3-triazolyl Thiodigalactoside Inhibitor | | Descriptor: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, Galectin-1 | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2017-12-12 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands
To be published
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5AMJ
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Wash II structure | | Descriptor: | CEREBLON ISOFORM 4, PHOSPHATE ION, S-Thalidomide, ... | | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | | Deposit date: | 2015-03-10 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Dynamics of the Cereblon Ligand Binding Domain.
Plos One, 10, 2015
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4NXR
 | | Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Neurexin-1 Peptide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), Neurexin-2-beta Peptide, ... | | Authors: | Liu, X, Speckhard, D.C, Shepherd, T.R, Hengel, S.R, Fuentes, E.J. | | Deposit date: | 2013-12-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
Structure, 24, 2016
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8VDN
 | | DNA Ligase 1 with nick dG:C | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, Downstream Oligo, ... | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2023-12-16 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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8VDS
 | | DNA Ligase 1 with nick DNA 3'rG:C | | Descriptor: | DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*G)-D(P*GP*TP*CP*GP*GP*AP*C)-3') | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2023-12-17 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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8VDT
 | | DNA Ligase 1 with nick DNA 3'rA:T | | Descriptor: | DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*TP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*A)-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ... | | Authors: | KanalElamparithi, B, Gulkis, M, Caglayan, M. | | Deposit date: | 2023-12-17 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
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6PKW
 | | Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C2 symmetry (pseudo C4 symmetry) | | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | | Deposit date: | 2019-06-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
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3HI5
 | | Crystal structure of Fab fragment of AL-57 | | Descriptor: | Heavy chain of Fab fragment of AL-57 against alpha L I domain, light chain of Fab fragment of AL-57 against alpha L I domain | | Authors: | Zhang, H, Wang, J. | | Deposit date: | 2009-05-18 | | Release date: | 2009-09-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6PKV
 | | Cryo-EM structure of the zebrafish TRPM2 channel in the apo conformation, processed with C4 symmetry | | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | | Deposit date: | 2019-06-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
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7P0I
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13 | | Descriptor: | (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
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7P0F
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125 | | Descriptor: | (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M, Watson, S.P. | | Deposit date: | 2021-06-29 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
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2R53
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3B3K
 | | Crystal structure of the complex between PPARgamma and the full agonist LT175 | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | | Deposit date: | 2007-10-22 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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6SOY
 | | Trypanosoma brucei transferrin receptor in complex with human transferrin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ESAG6, subunit of heterodimeric transferrin receptor, ... | | Authors: | Trevor, C, Carrington, M, Higgins, M.K. | | Deposit date: | 2019-08-30 | | Release date: | 2019-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of the trypanosome transferrin receptor reveals mechanisms of ligand recognition and immune evasion.
Nat Microbiol, 4, 2019
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6PKX
 | | Cryo-EM structure of the zebrafish TRPM2 channel in the presence of ADPR and Ca2+ | | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily M member 2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | | Deposit date: | 2019-06-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
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4Z7N
 | | Integrin alphaIIbbeta3 in complex with AGDV peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2015-04-07 | | Release date: | 2015-12-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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4Z7O
 | | Integrin alphaIIbbeta3 in complex with AGDV peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2015-04-07 | | Release date: | 2016-01-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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2RL9
 | | Crystal Structure cation-dependent mannose 6-phosphate receptor at pH 6.5 bound to trimannoside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, Cation-dependent mannose-6-phosphate receptor, ... | | Authors: | Olson, L.J, Hindsgaul, O, Dahms, N.M, Kim, J.-J.P. | | Deposit date: | 2007-10-18 | | Release date: | 2008-02-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the mechanism of pH-dependent ligand binding and release by the cation-dependent mannose 6-phosphate receptor.
J.Biol.Chem., 283, 2008
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1Z1M
 | | NMR structure of unliganded MDM2 | | Descriptor: | Ubiquitin-protein ligase E3 Mdm2 | | Authors: | Uhrinova, S, Uhrin, D, Powers, H, Watt, K, Zheleva, D, Fischer, P, McInnes, C, Barlow, P.N. | | Deposit date: | 2005-03-04 | | Release date: | 2005-06-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of Free MDM2 N-terminal Domain Reveals Conformational Adjustments that Accompany p53-binding
J.Mol.Biol., 350, 2005
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3LXO
 | | The crystal structure of ribonuclease A in complex with thymidine-3'-monophosphate | | Descriptor: | Ribonuclease pancreatic, THYMIDINE-3'-PHOSPHATE | | Authors: | Doucet, N, Jayasundera, T.B, Simonovic, M, Loria, J.P. | | Deposit date: | 2010-02-25 | | Release date: | 2010-04-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | The crystal structure of ribonuclease A in complex with thymidine-3'-monophosphate provides further insight into ligand binding.
Proteins, 78, 2010
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7Q2C
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