2BW8
 
 | |
2WKZ
 | | HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity | | Descriptor: | METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE | | Authors: | Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T. | | Deposit date: | 2009-06-19 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
|
|
7VZO
 | |
5WLT
 | | Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide | | Descriptor: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | | Deposit date: | 2017-07-27 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
|
|
3BIN
 | | Structure of the DAL-1 and TSLC1 (372-383) complex | | Descriptor: | Band 4.1-like protein 3, Cell adhesion molecule 1 | | Authors: | Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Persson, C, Hallberg, B.M. | | Deposit date: | 2007-11-30 | | Release date: | 2008-01-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B)
J.Biol.Chem., 286, 2011
|
|
7PQO
 | | Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin | | Descriptor: | Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ... | | Authors: | Harmat, V, Fodor, K, Heja, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.39 Å) | | Cite: | Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
|
|
7PQN
 | | Catalytic fragment of MASP-2 in complex with ecotin | | Descriptor: | Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ... | | Authors: | Harmat, V, Fodor, K, Heja, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.400015 Å) | | Cite: | Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
|
|
2VPI
 | | Human GMP synthetase - glutaminase domain | | Descriptor: | GMP SYNTHASE | | Authors: | Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Van Der Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-29 | | Release date: | 2008-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human Gmp Synthetase - Glutaminase Domain
To be Published
|
|
2W4L
 | | Human dCMP deaminase | | Descriptor: | CHLORIDE ION, DEOXYCYTIDYLATE DEAMINASE, ZINC ION | | Authors: | Siponen, M.I, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schuler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Nordlund, P. | | Deposit date: | 2008-11-28 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of Human Dcmp Deaminase
To be Published
|
|
1GYV
 | | Gamma-adaptin appendage domain from clathrin adaptor AP1, L762E mutant | | Descriptor: | ADAPTER-RELATED PROTEIN COMPLEX 1 GAMMA 1 SUBUNIT | | Authors: | Evans, P.R, Owen, D.J, McMahon, H.M, Kent, H.M. | | Deposit date: | 2002-04-30 | | Release date: | 2002-08-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Gamma-adaptin appendage domain: structure and binding site for Eps15 and gamma-synergin.
Structure, 10, 2002
|
|
7PZR
 | | Cryo-EM structure of POLRMT in free form. | | Descriptor: | DNA-directed RNA polymerase, mitochondrial | | Authors: | Das, H, Hallberg, B.M. | | Deposit date: | 2021-10-13 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Non-coding 7S RNA inhibits transcription via mitochondrial RNA polymerase dimerization.
Cell, 185, 2022
|
|
7JHG
 | | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-21 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
|
|
7JHH
 | | Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-21 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
|
|
7JIJ
 | | ATP-bound AMP-activated protein kinase | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Powell, K, Xu, T, Brunzelle, J.S, Xu, H.X, Melcher, K. | | Deposit date: | 2020-07-23 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
|
|
7PWD
 | | Structure of an inhibited GRK2-G-beta and G-gamma complex | | Descriptor: | 4-chloranyl-N-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide, Beta-adrenergic receptor kinase 1, CHLORIDE ION, ... | | Authors: | Faucher, N, Tauchert, M.J, Konz Makino, D.L, Vuillard, L.M. | | Deposit date: | 2021-10-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthesis of thieno[2,3-c]pyridine derived GRK2 inhibitors
Monatsh Chem, 2022
|
|
5E4M
 | |
4GUY
 | | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | | Deposit date: | 2012-08-30 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
|
|
5DYH
 | | Ti(IV) bound human serum transferrin | | Descriptor: | CARBONATE ION, CITRIC ACID, Serotransferrin, ... | | Authors: | Saxena, M, Sharma, S, Noinaj, N, Parks, T.B, Tinoco, A.D. | | Deposit date: | 2015-09-24 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.682 Å) | | Cite: | Unusual Synergism of Transferrin and Citrate in the Regulation of Ti(IV) Speciation, Transport, and Toxicity.
J.Am.Chem.Soc., 138, 2016
|
|
1HH9
 | | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE | | Descriptor: | IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-2 | | Authors: | Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W. | | Deposit date: | 2000-12-21 | | Release date: | 2001-01-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure
Embo J., 19, 2000
|
|
5WLV
 | | Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | | Descriptor: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | | Deposit date: | 2017-07-27 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
|
|
1HH6
 | | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE | | Descriptor: | IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-4 | | Authors: | Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W. | | Deposit date: | 2000-12-21 | | Release date: | 2001-01-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure
Embo J., 19, 2000
|
|
8BZI
 | | Human MST3 (STK24) kinase in complex with inhibitor MR39 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Balourdas, D.I, Rak, M, Tesch, R, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-12-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
|
|
1GYU
 | |
1GYW
 | | Gamma-adaptin appendage domain from clathrin adaptor AP1 A753D mutant | | Descriptor: | ADAPTER-RELATED PROTEIN COMPLEX 1 GAMMA 1 SUBUNIT, CHLORIDE ION | | Authors: | Evans, P.R, Miele, A.E, Owen, D.J, McMahon, H.M, Kent, H.M. | | Deposit date: | 2002-04-30 | | Release date: | 2002-08-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gamma-adaptin appendage domain: structure and binding site for Eps15 and gamma-synergin.
Structure, 10, 2002
|
|
2VKT
 | | HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN | | Descriptor: | CTP SYNTHASE 2 | | Authors: | Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-28 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human Ctp Synthetase 2 - Glutaminase Domain
To be Published
|
|
