6HVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hvc by Molmil](/molmil-images/mine/6hvc) | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution | Descriptor: | Urotensin-2 | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P. | Deposit date: | 2018-10-10 | Release date: | 2019-01-16 | Last modified: | 2019-04-24 | Method: | SOLUTION NMR | Cite: | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides. J.Med.Chem., 62, 2019
|
|
6CXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cxv by Molmil](/molmil-images/mine/6cxv) | Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | Deposit date: | 2018-04-04 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1. J. Am. Chem. Soc., 140, 2018
|
|
6D2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d2t by Molmil](/molmil-images/mine/6d2t) | HLA-B*57:01 presenting LALLTGVRW | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | Authors: | Vivian, J.P, Rossjohn, J. | Deposit date: | 2018-04-13 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands. Sci Immunol, 3, 2018
|
|
6D2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d2b by Molmil](/molmil-images/mine/6d2b) | HLA-B*57:01 presenting LSDSTARDVTW | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | Authors: | Vivian, J.P, Rossjohn, J. | Deposit date: | 2018-04-13 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands. Sci Immunol, 3, 2018
|
|
6HVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hvb by Molmil](/molmil-images/mine/6hvb) | NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution | Descriptor: | Urotensin-2 | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P. | Deposit date: | 2018-10-10 | Release date: | 2019-01-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides. J.Med.Chem., 62, 2019
|
|
1ZBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zbz by Molmil](/molmil-images/mine/1zbz) | High-Resolution Crystal Structure of Compound I intermediate of Cytochrome c Peroxidase (CcP) | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bonagura, C.A, Bhaskar, B, Shimizu, H, Li, H, Sundaramoorthy, M, McRee, D.E, Goodin, D.B, Poulos, T.L. | Deposit date: | 2005-04-09 | Release date: | 2005-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase Biochemistry, 42, 2003
|
|
7K80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k80 by Molmil](/molmil-images/mine/7k80) | KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ... | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | Deposit date: | 2020-09-24 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
|
|
7D7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d7m by Molmil](/molmil-images/mine/7d7m) | Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, 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: | Nojima, S, Fujita, Y, Kimura, T.K, Nomura, N, Suno, R, Morimoto, K, Yamamoto, M, Noda, T, Iwata, S, Shigematsu, H, Kobayashi, T. | Deposit date: | 2020-10-05 | Release date: | 2020-11-18 | Last modified: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein. Structure, 29, 2021
|
|
7S3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s3t by Molmil](/molmil-images/mine/7s3t) | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2021-09-08 | Release date: | 2022-10-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 2023
|
|
7S3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s3j by Molmil](/molmil-images/mine/7s3j) | Crystal Structure of AspB P450 in complex with brevianamide F substrates | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ... | Authors: | Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2021-09-07 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
5VUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vud by Molmil](/molmil-images/mine/5vud) | HLA-B*57:01 presenting LSSPVTKSW | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | Deposit date: | 2017-05-19 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun, 9, 2018
|
|
4P8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p8v by Molmil](/molmil-images/mine/4p8v) | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc2) were solved to resolutions of 1.5 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
|
|
5W6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w6u by Molmil](/molmil-images/mine/5w6u) | |
5W5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w5u by Molmil](/molmil-images/mine/5w5u) | |
5W6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w6t by Molmil](/molmil-images/mine/5w6t) | |
4P8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p8x by Molmil](/molmil-images/mine/4p8x) | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc6) were solved to resolutions of 2.48 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
|
|
5VUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vue by Molmil](/molmil-images/mine/5vue) | HLA-B*57:01 presenting LTVQVARVW | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | Deposit date: | 2017-05-19 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun, 9, 2018
|
|
5VWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vwh by Molmil](/molmil-images/mine/5vwh) | HLA-B*58:01 presenting LSSPVTKSW | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-58 alpha chain, ... | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | Deposit date: | 2017-05-21 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun, 9, 2018
|
|
4P8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p8u by Molmil](/molmil-images/mine/4p8u) | The crystal structures of YKL-39 in the absence of chitooligosaccharides was solved to resolutions of 2.4 angstrom | Descriptor: | Chitinase-3-like protein 2, DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-10-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
|
|
4Q71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q71 by Molmil](/molmil-images/mine/4q71) | Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779W | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ... | Authors: | Tanner, J.J, Luo, M, Pemberton, T.A. | Deposit date: | 2014-04-23 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A. Biochemistry, 53, 2014
|
|
5VVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vvp by Molmil](/molmil-images/mine/5vvp) | HLA-B*57:03 presenting LSSPVTKSW | Descriptor: | Beta-2-microglobulin, LEU-SER-SER-PRO-VAL-THR-LYS-SER-TRP, MHC class I antigen | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | Deposit date: | 2017-05-19 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun, 9, 2018
|
|
4P8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p8w by Molmil](/molmil-images/mine/4p8w) | The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc4) were solved to resolutions of 1.9 angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase-3-like protein 2, SULFATE ION | Authors: | Suginta, W, Ranok, A, Robinson, R.C, Wongsantichon, J. | Deposit date: | 2014-04-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Thermodynamic Insights into Chitooligosaccharide Binding to Human Cartilage Chitinase 3-like Protein 2 (CHI3L2 or YKL-39). J.Biol.Chem., 290, 2015
|
|
7K81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k81 by Molmil](/molmil-images/mine/7k81) | KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ... | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | Deposit date: | 2020-09-24 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
|
|
5W6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w6i by Molmil](/molmil-images/mine/5w6i) | |
7TB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tb1 by Molmil](/molmil-images/mine/7tb1) | Crystal structure of STUB1 with a macrocyclic peptide | Descriptor: | 1,3-bis(sulfanyl)propan-2-one, ALA-CYS-SER-SER-ILE-TRP-CYS-PRO-ASP-GLY, E3 ubiquitin-protein ligase CHIP | Authors: | Bahmanjah, S, Klein, D.J. | Deposit date: | 2021-12-21 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1. J.Med.Chem., 2022
|
|