5EK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ek3 by Molmil](/molmil-images/mine/5ek3) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
|
|
7DCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dcn by Molmil](/molmil-images/mine/7dcn) | Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase | Descriptor: | Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION | Authors: | Xu, H, Wang, B, Su, X.D. | Deposit date: | 2020-10-26 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | Co-evolution-based prediction of metal-binding sites in proteomes by machine learning. Nat.Chem.Biol., 19, 2023
|
|
7DCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dcm by Molmil](/molmil-images/mine/7dcm) | Crystal structure of CITX | Descriptor: | Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION | Authors: | Xu, H, Wang, B, Su, X.D. | Deposit date: | 2020-10-26 | Release date: | 2021-11-03 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Co-evolution-based prediction of metal-binding sites in proteomes by machine learning. Nat.Chem.Biol., 19, 2023
|
|
6KMC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kmc by Molmil](/molmil-images/mine/6kmc) | Crystal structure of a Streptococcal protein G B1 mutant | Descriptor: | ACETIC ACID, Immunoglobulin G-binding protein G B1 | Authors: | Watanabe, H, Honda, S. | Deposit date: | 2019-07-31 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Histidine-Mediated Intramolecular Electrostatic Repulsion for Controlling pH-Dependent Protein-Protein Interaction. Acs Chem.Biol., 14, 2019
|
|
6KOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kof by Molmil](/molmil-images/mine/6kof) | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47 | Descriptor: | 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, S.Y. | Deposit date: | 2019-08-09 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.263 Å) | Cite: | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
|
|
6KW7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kw7 by Molmil](/molmil-images/mine/6kw7) | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 12 | Descriptor: | 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, S.Y. | Deposit date: | 2019-09-06 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
|
|
6KPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kps by Molmil](/molmil-images/mine/6kps) | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 36 | Descriptor: | 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, S.Y. | Deposit date: | 2019-08-16 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors. J.Med.Chem., 63, 2020
|
|
6KLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kla by Molmil](/molmil-images/mine/6kla) | Crystal structure of human c-KIT kinase domain in complex with compound 15a | Descriptor: | Mast/stem cell growth factor receptor Kit, N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine | Authors: | Wu, T.S, Peng, Y.H, Hsueh, C.C, Wu, S.Y. | Deposit date: | 2019-07-30 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Identification of a Multitargeted Tyrosine Kinase Inhibitor for the Treatment of Gastrointestinal Stromal Tumors and Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
|
|
5XQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xqn by Molmil](/molmil-images/mine/5xqn) | Crystal structure of Notched-fin eelpout type III antifreeze protein (NFE6, AFP), C2221 form. | Descriptor: | Ice-structuring protein, SULFATE ION | Authors: | Adachi, M, Kondo, H, Tsuda, S. | Deposit date: | 2017-06-07 | Release date: | 2018-05-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2ZR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zr3 by Molmil](/molmil-images/mine/2zr3) | |
2ZR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zr2 by Molmil](/molmil-images/mine/2zr2) | Crystal structure of seryl-tRNA synthetase from Pyrococcus horikoshii complexed with ATP | Descriptor: | ADENOSINE MONOPHOSPHATE, SULFATE ION, Seryl-tRNA synthetase | Authors: | Itoh, Y, Sekine, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-08-22 | Release date: | 2008-09-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic and mutational studies of seryl-tRNA synthetase from the archaeon Pyrococcus horikoshii. Rna Biol., 5, 2008
|
|
7WBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wbx by Molmil](/molmil-images/mine/7wbx) | RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-3) of the nucleosome | Descriptor: | DNA (198-MER), DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, ... | Authors: | Osumi, K, Kujirai, T, Ehara, H, Sekine, S, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2021-12-17 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome. J.Mol.Biol., 435, 2023
|
|
7WBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wbw by Molmil](/molmil-images/mine/7wbw) | RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-3.5) of the nucleosome | Descriptor: | DNA (198-MER), DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, ... | Authors: | Osumi, K, Kujirai, T, Ehara, H, Sekine, S, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2021-12-17 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome. J.Mol.Biol., 435, 2023
|
|
7WBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wbv by Molmil](/molmil-images/mine/7wbv) | RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-4) of the nucleosome | Descriptor: | DNA (159-MER), DNA (198-MER), DNA-directed RNA polymerase subunit, ... | Authors: | Osumi, K, Kujirai, T, Ehara, H, Sekine, S, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2021-12-17 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome. J.Mol.Biol., 435, 2023
|
|
1BHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bhi by Molmil](/molmil-images/mine/1bhi) | STRUCTURE OF TRANSACTIVATION DOMAIN OF CRE-BP1/ATF-2, NMR, 20 STRUCTURES | Descriptor: | CRE-BP1 | Authors: | Nagadoi, A, Nakazawa, K, Uda, H, Maekawa, T, Ishii, S, Nishimura, Y. | Deposit date: | 1998-06-09 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the transactivation domain of ATF-2 comprising a zinc finger-like subdomain and a flexible subdomain. J.Mol.Biol., 287, 1999
|
|
6ALA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ala by Molmil](/molmil-images/mine/6ala) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate | Descriptor: | CITRATE ANION, COPPER (II) ION, GLYCEROL, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-07 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6ALV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6alv by Molmil](/molmil-images/mine/6alv) | Crystal structure of H107A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant (no CuH bound) | Descriptor: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-08 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6AN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6an3 by Molmil](/molmil-images/mine/6an3) | Crystal structure of H172A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant soaked with peptide (no CuH bound, no peptide bound) | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-11 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6AY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ay0 by Molmil](/molmil-images/mine/6ay0) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-09-07 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6AMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6amp by Molmil](/molmil-images/mine/6amp) | Crystal structure of H172A PHM (CuH absent, CuM present) | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-10 | Release date: | 2018-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6AO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ao6 by Molmil](/molmil-images/mine/6ao6) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | Descriptor: | COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-15 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
5GHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ghi by Molmil](/molmil-images/mine/5ghi) | Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2016-06-20 | Release date: | 2017-01-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.211 Å) | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
|
|
5GHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gho by Molmil](/molmil-images/mine/5gho) | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 8-oxo-dGTP | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2016-06-20 | Release date: | 2017-01-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.191 Å) | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
|
|
5GHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ghn by Molmil](/molmil-images/mine/5ghn) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2016-06-20 | Release date: | 2017-01-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.391 Å) | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
|
|
5GHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ghm by Molmil](/molmil-images/mine/5ghm) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 7.0 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2016-06-20 | Release date: | 2017-01-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
|
|