3RTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rtg by Molmil](/molmil-images/mine/3rtg) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ru7 by Molmil](/molmil-images/mine/3ru7) | |
3RU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ru9 by Molmil](/molmil-images/mine/3ru9) | |
1Q36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q36 by Molmil](/molmil-images/mine/1q36) | EPSP synthase (Asp313Ala) liganded with tetrahedral reaction intermediate | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID, FORMIC ACID | Authors: | Eschenburg, S, Kabsch, W, Healy, M.L, Schonbrunn, E. | Deposit date: | 2003-07-28 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A New View of the Mechanisms of UDP-N-Acetylglucosamine Enolpyruvyl Transferase (MurA) and 5-Enolpyruvylshikimate-3-phosphate Synthase (AroA) Derived from X-ray Structures of Their Tetrahedral Reaction Intermediate States. J.Biol.Chem., 278, 2003
|
|
1PQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pqa by Molmil](/molmil-images/mine/1pqa) | Trypsin with PMSF at atomic resolution | Descriptor: | SULFATE ION, Trypsin | Authors: | Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S. | Deposit date: | 2003-06-18 | Release date: | 2003-11-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS. J.Biol.Chem., 278, 2003
|
|
4QQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qqi by Molmil](/molmil-images/mine/4qqi) | Crystal structure of ANKRA2-RFX7 complex | Descriptor: | Ankyrin repeat family A protein 2, DNA-binding protein RFX7, SULFATE ION, ... | Authors: | Xu, C, Tempel, W, Dong, A, Mackenzie, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure of ANKRA2-RFX7 complex To Be Published
|
|
3RUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ruh by Molmil](/molmil-images/mine/3ruh) | |
4QPG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qpg by Molmil](/molmil-images/mine/4qpg) | Crystal structure of empty hepatitis A virus | Descriptor: | CHLORIDE ION, Capsid protein VP0, Capsid protein VP1, ... | Authors: | Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | Deposit date: | 2014-06-23 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Hepatitis A virus and the origins of picornaviruses. Nature, 517, 2015
|
|
4QUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4quy by Molmil](/molmil-images/mine/4quy) | yCP beta5-A49S-mutant | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-14 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
|
|
1Q55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q55 by Molmil](/molmil-images/mine/1q55) | W-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | He, W, Cowin, P, Stokes, D.L. | Deposit date: | 2003-08-06 | Release date: | 2003-10-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (30 Å) | Cite: | Untangling Desmosomal Knots with Electron Tomography Science, 302, 2003
|
|
1PWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pwj by Molmil](/molmil-images/mine/1pwj) | Structure of the Monomeric 8-kDa Dynein Light Chain and Mechanism of Domain Swapped Dimer Assembly | Descriptor: | dynein light chain-2 | Authors: | Wang, W, Lo, K.W.-H, Kan, H.-M, Fan, J.-S, Zhang, M. | Deposit date: | 2003-07-02 | Release date: | 2003-10-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Monomeric 8-kDa Dynein Light Chain and Mechanism of the Domain-swapped Dimer Assembly J.Biol.Chem., 278, 2003
|
|
4QW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qw3 by Molmil](/molmil-images/mine/4qw3) | yCP beta5-C63F mutant in complex with bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
|
|
3RUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rud by Molmil](/molmil-images/mine/3rud) | |
3RXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rxw by Molmil](/molmil-images/mine/3rxw) | KPC-2 carbapenemase in complex with PSR3-226 | Descriptor: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2011-05-10 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother., 56, 2012
|
|
4QPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qpl by Molmil](/molmil-images/mine/4qpl) | Crystal structure of RNF146(RING-WWE)/UbcH5a/iso-ADPr complex | Descriptor: | 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146, Ubiquitin-conjugating enzyme E2 D1, ... | Authors: | Wang, Z, DaRosa, P.A, Klevit, R.E, Xu, W. | Deposit date: | 2014-06-23 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric activation of the RNF146 ubiquitin ligase by a poly(ADP-ribosyl)ation signal. Nature, 517, 2015
|
|
4QYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qyy by Molmil](/molmil-images/mine/4qyy) | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | Deposit date: | 2014-07-26 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
|
|
4QZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qz3 by Molmil](/molmil-images/mine/4qz3) | yCP beta5-A49V mutant in complex with the epoxyketone inhibitor ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-27 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
|
|
3RU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ru3 by Molmil](/molmil-images/mine/3ru3) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADPH and ATP. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-04 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
1PXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pxo by Molmil](/molmil-images/mine/1pxo) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | Descriptor: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | Authors: | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2003-07-04 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
|
|
4D5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d5f by Molmil](/molmil-images/mine/4d5f) | |
3RUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ruc by Molmil](/molmil-images/mine/3ruc) | |
4CS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cs3 by Molmil](/molmil-images/mine/4cs3) | Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with an adenylated furan-bearing noncanonical amino acid and pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, 2-(furan-2-yl)ethyl hydrogen carbonate, ADENOSINE MONOPHOSPHATE, ... | Authors: | Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D. | Deposit date: | 2014-03-04 | Release date: | 2014-04-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells. Chembiochem, 15, 2014
|
|
4QZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qz4 by Molmil](/molmil-images/mine/4qz4) | yCP beta5-A49S mutant in complex with the epoxyketone inhibitor ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-27 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
|
|
3O5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o5w by Molmil](/molmil-images/mine/3o5w) | Binding of kinetin in the active site of mistletoe lectin I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | Authors: | Malecki, P.H, Meyer, A, Rypniewski, W, Szymanski, M, Barciszewski, J, Betzel, C. | Deposit date: | 2010-07-28 | Release date: | 2011-09-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding of the plant hormone kinetin in the active site of Mistletoe Lectin I from Viscum album. Biochim.Biophys.Acta, 1824, 2012
|
|
4QVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qvq by Molmil](/molmil-images/mine/4qvq) | yCP beta5-M45I mutant in complex with bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-15 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
|
|