1CUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cub by Molmil](/molmil-images/mine/1cub) | |
1CUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cux by Molmil](/molmil-images/mine/1cux) | CUTINASE, L114Y MUTANT | Descriptor: | CUTINASE | Authors: | Longhi, S, Cambillau, C. | Deposit date: | 1995-11-16 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants. Proteins, 26, 1996
|
|
1CUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cud by Molmil](/molmil-images/mine/1cud) | |
1CUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cug by Molmil](/molmil-images/mine/1cug) | CUTINASE, R17E, N172K MUTANT | Descriptor: | CUTINASE | Authors: | Longhi, S, Cambillau, C. | Deposit date: | 1995-11-16 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants. Proteins, 26, 1996
|
|
1CUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cuu by Molmil](/molmil-images/mine/1cuu) | CUTINASE, A199C MUTANT | Descriptor: | CUTINASE | Authors: | Longhi, S, Cambillau, C. | Deposit date: | 1995-11-16 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | 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
|
|
1CUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cuh by Molmil](/molmil-images/mine/1cuh) | CUTINASE, R196E MUTANT | Descriptor: | CUTINASE | Authors: | Longhi, S, Cambillau, C. | Deposit date: | 1995-11-16 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants. Proteins, 26, 1996
|
|
1CUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cuf by Molmil](/molmil-images/mine/1cuf) | CUTINASE, R156L MUTANT | Descriptor: | CUTINASE | Authors: | Longhi, S, Cambillau, C. | Deposit date: | 1995-11-16 | Release date: | 1996-07-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants. Proteins, 26, 1996
|
|
5T2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t2t by Molmil](/molmil-images/mine/5t2t) | Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease bound to compound L742001 | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F. | Deposit date: | 2016-08-24 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.967 Å) | Cite: | Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands. IUCrJ, 5, 2018
|
|
5JEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jeg by Molmil](/molmil-images/mine/5jeg) | Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-18 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5JEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jep by Molmil](/molmil-images/mine/5jep) | Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-18 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
3OUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ouu by Molmil](/molmil-images/mine/3ouu) | Crystal Structure of Biotin Carboxylase-beta-gamma-ATP Complex from Campylobacter jejuni | Descriptor: | Biotin carboxylase, CACODYLATE ION, CALCIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-15 | Release date: | 2010-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Crystal Structure of Biotin Carboxylase-beta-gamma-ATP Complex from Campylobacter jejuni TO BE PUBLISHED
|
|
6LOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6loj by Molmil](/molmil-images/mine/6loj) | The complex structure of IpaH9.8-LRR and hGBP1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 1, Invasion plasmid antigen | Authors: | Ye, Y, Huang, H. | Deposit date: | 2020-01-06 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.72 Å) | Cite: | Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8. Commun Biol, 3, 2020
|
|
4A8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a8u by Molmil](/molmil-images/mine/4a8u) | Crystal Structure of native Birch Pollen Allergen Bet v 1 isoform j | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-21 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
|
|
5JDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jdv by Molmil](/molmil-images/mine/5jdv) | Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5JEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jeh by Molmil](/molmil-images/mine/5jeh) | Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-18 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
6QZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qzh by Molmil](/molmil-images/mine/6qzh) | Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA | Descriptor: | 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide, C-C chemokine receptor type 7,Sialidase A,C-C chemokine receptor type 7, D(-)-TARTARIC ACID, ... | Authors: | Jaeger, K, Bruenle, S, Weinert, T, Guba, W, Muehle, J, Miyazaki, T, Weber, M, Furrer, A, Haenggi, N, Tetaz, T, Huang, C.Y, Mattle, D, Vonach, J.M, Gast, A, Kuglstatter, A, Rudolph, M.G, Nogly, P, Benz, J, Dawson, R.J.P, Standfuss, J. | Deposit date: | 2019-03-11 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7. Cell, 178, 2019
|
|
4AON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aon by Molmil](/molmil-images/mine/4aon) | |
4A86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a86 by Molmil](/molmil-images/mine/4a86) | |
4A84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a84 by Molmil](/molmil-images/mine/4a84) | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a F30V mutant in complex with deoxycholate. | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-18 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
|
|
5TDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tdd by Molmil](/molmil-images/mine/5tdd) | Human UBR-box from UBR2 in complex with HIFS peptide | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UBR2, HIS-ILE-PHE-SER peptide, ... | Authors: | Munoz-Escobar, J, Kozlov, G, Gehring, K. | Deposit date: | 2016-09-19 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase. Structure, 25, 2017
|
|
1PO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1po1 by Molmil](/molmil-images/mine/1po1) | POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R80633, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | Deposit date: | 1997-01-08 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes. Acta Crystallogr.,Sect.D, 53, 1997
|
|
4A81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a81 by Molmil](/molmil-images/mine/4a81) | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with 8-Anilinonaphthalene-1-sulfonate (ANS) and deoxycholic acid | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-18 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
|
|
7UD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ud7 by Molmil](/molmil-images/mine/7ud7) | Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease. Biomolecules, 12, 2022
|
|
7UD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ud8 by Molmil](/molmil-images/mine/7ud8) | Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom | Descriptor: | (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.S. | Deposit date: | 2022-03-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease. Biomolecules, 12, 2022
|
|
1PXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pxj by Molmil](/molmil-images/mine/1pxj) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | Deposit date: | 2003-07-04 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
|
|