4RMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rmh by Molmil](/molmil-images/mine/4rmh) | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
|
|
4RMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rmj by Molmil](/molmil-images/mine/4rmj) | Human Sirt2 in complex with ADP ribose and nicotinamide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
|
|
4USO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uso by Molmil](/molmil-images/mine/4uso) | X-ray structure of the CCL2 lectin in complex with sialyl lewis X | Descriptor: | CCL2 LECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M. | Deposit date: | 2014-07-11 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes. Glycobiology, 27, 2017
|
|
4USP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4usp by Molmil](/molmil-images/mine/4usp) | X-ray structure of the dimeric CCL2 lectin in native form | Descriptor: | CCL2 LECTIN, CHLORIDE ION, PHOSPHATE ION | Authors: | Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M. | Deposit date: | 2014-07-11 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes. Glycobiology, 27, 2017
|
|
7QUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qul by Molmil](/molmil-images/mine/7qul) | Alcohol Dehydrogenase from Thauera aromatica K319A/K320A mutant | Descriptor: | 1,2-ETHANEDIOL, 6-hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase, ZINC ION | Authors: | Petchey, M.L, Stark, F, Ansorge-Schumacher, M, Grogan, G. | Deposit date: | 2022-01-18 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Advanced Insights into Catalytic and Structural Features of the Zinc-Dependent Alcohol Dehydrogenase from Thauera aromatica. Chembiochem, 23, 2022
|
|
4UIR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uir by Molmil](/molmil-images/mine/4uir) | Structure of oleate hydratase from Elizabethkingia meningoseptica | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | Authors: | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | Deposit date: | 2015-04-02 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica. Chembiochem, 16, 2015
|
|
6QHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qhe by Molmil](/molmil-images/mine/6qhe) | Alcohol Dehydrogenase from Arthrobacter sp. TS-15 in complex with NAD+ | Descriptor: | Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Lockie, C, Beloti, L, Shanati, T, Ansorge-Schumacher, M, Grogan, G. | Deposit date: | 2019-01-16 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Two Enantiocomplementary Ephedrine Dehydrogenases from Arthrobacter sp. TS-15 with Broad Substrate Specificity Acs Catalysis, 9, 2019
|
|
6A3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a3h by Molmil](/molmil-images/mine/6a3h) | 2-DEOXY-2-FLURO-B-D-CELLOTRIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.6 ANGSTROM RESOLUTION | Descriptor: | ENDOGLUCANASE, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | Deposit date: | 1998-07-22 | Release date: | 1999-07-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase. Biochemistry, 37, 1998
|
|
8A0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a0c by Molmil](/molmil-images/mine/8a0c) | Capsular polysaccharide synthesis multienzyme in complex with CMP | Descriptor: | Bcs3, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | Deposit date: | 2022-05-27 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule. Nat.Chem.Biol., 19, 2023
|
|
8A0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a0m by Molmil](/molmil-images/mine/8a0m) | Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment | Descriptor: | Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate | Authors: | Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T. | Deposit date: | 2022-05-29 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule. Nat.Chem.Biol., 19, 2023
|
|
6WMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmr by Molmil](/molmil-images/mine/6wmr) | F. tularensis RNAPs70-(MglA-SspA)-iglA DNA complex | Descriptor: | DNA NT-strand, DNA NT-strand downstream, DNA T-strand, ... | Authors: | Travis, B.A, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2020-04-21 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural Basis for Virulence Activation of Francisella tularensis. Mol.Cell, 81, 2021
|
|
6WMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmu by Molmil](/molmil-images/mine/6wmu) | E. coli RNAPs70-SspA-gadA DNA complex | Descriptor: | DNA NT-strand, DNA NT-strand downstream, DNA T-strand, ... | Authors: | Travis, B.A, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2020-04-21 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural Basis for Virulence Activation of Francisella tularensis. Mol.Cell, 81, 2021
|
|
6WMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmp by Molmil](/molmil-images/mine/6wmp) | F. tularensis RNAPs70-iglA DNA complex | Descriptor: | DNA NT-strand, DNA T-strand, DNA-directed RNA polymerase subunit alpha 1, ... | Authors: | Travis, B.A, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2020-04-21 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural Basis for Virulence Activation of Francisella tularensis. Mol.Cell, 81, 2021
|
|
7OP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7op0 by Molmil](/molmil-images/mine/7op0) | Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ... | Authors: | Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2021-05-28 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The Chemical Synthesis of Knob Domain Antibody Fragments. Acs Chem.Biol., 16, 2021
|
|
2V9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v9u by Molmil](/molmil-images/mine/2v9u) | Rim domain of main porin from Mycobacteria smegmatis | Descriptor: | MSPA | Authors: | Grueninger, D, Ziegler, M.O.P, Koetter, J.W.A, Treiber, N, Schulze, M.-S, Schulz, G.E. | Deposit date: | 2007-08-27 | Release date: | 2008-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Designed Protein-Protein Association. Science, 319, 2008
|
|
8V4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v4h by Molmil](/molmil-images/mine/8v4h) | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ... | Authors: | Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M. | Deposit date: | 2023-11-29 | Release date: | 2023-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni. Biochemistry, 63, 2024
|
|
7AD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ad6 by Molmil](/molmil-images/mine/7ad6) | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2020-09-14 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
|
|
7AD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ad7 by Molmil](/molmil-images/mine/7ad7) | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2020-09-14 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
|
|
1A39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a39 by Molmil](/molmil-images/mine/1a39) | HUMICOLA INSOLENS ENDOCELLULASE EGI S37W, P39W DOUBLE-MUTANT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | Authors: | Davies, G.J, Ducros, V, Lewis, R.J, Borchert, T.V, Schulein, M. | Deposit date: | 1998-01-28 | Release date: | 1999-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oligosaccharide specificity of a family 7 endoglucanase: insertion of potential sugar-binding subsites. J.Biotechnol., 57, 1997
|
|
7A3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a3h by Molmil](/molmil-images/mine/7a3h) | NATIVE ENDOGLUCANASE CEL5A CATALYTIC CORE DOMAIN AT 0.95 ANGSTROMS RESOLUTION | Descriptor: | ENDOGLUCANASE, ETHANOL, GLYCEROL | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | Deposit date: | 1998-08-05 | Release date: | 1999-08-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase. Biochemistry, 37, 1998
|
|
2UZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uz1 by Molmil](/molmil-images/mine/2uz1) | 1.65 Angstrom structure of Benzaldehyde Lyase complexed with 2-methyl- 2,4-pentanediol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZALDEHYDE LYASE, THIAMINE DIPHOSPHATE | Authors: | Maraite, A, Schmidt, T, Ansorge-Schumacher, M.B, Brzozowski, A.M, Grogan, G. | Deposit date: | 2007-04-23 | Release date: | 2007-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of the Thdp-Dependent Enzyme Benzaldehyde Lyase Refined to 1.65 A Resolution. Acta Crystallogr.,Sect.F, 63, 2007
|
|
6WMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wmt by Molmil](/molmil-images/mine/6wmt) | F. tularensis RNAPs70-(MglA-SspA)-ppGpp-PigR-iglA DNA complex | Descriptor: | DNA NT-strand, DNA NT-strand downstream, DNA T-strand, ... | Authors: | Travis, B.A, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2020-04-21 | Release date: | 2020-11-11 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.43 Å) | Cite: | Structural Basis for Virulence Activation of Francisella tularensis. Mol.Cell, 81, 2021
|
|
4C4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4o by Molmil](/molmil-images/mine/4c4o) | Structure of carbonyl reductase CPCR2 from Candida parapsilosis in complex with NADH | Descriptor: | 1,2-ETHANEDIOL, CARBONYL REDUCTASE CPCR2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Man, H, Loderer, C, Ansorge-Schumacher, M, Grogan, G. | Deposit date: | 2013-09-06 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Nadh-Dependent Carbonyl Reductase (Cpcr2) from Candida Parapsilosis Provides Insight Into Mutations that Improve Catalytic Properties Chemcatchem, 6, 2014
|
|
4YIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yix by Molmil](/molmil-images/mine/4yix) | Structure of MRB1590 bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MERCURY (II) ION, ... | Authors: | Shaw, P.L.R, Schumacher, M.A. | Deposit date: | 2015-03-02 | Release date: | 2015-08-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold. Nucleic Acids Res., 43, 2015
|
|
7B6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b6w by Molmil](/molmil-images/mine/7b6w) | Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin | Descriptor: | Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor, [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | Authors: | Deluigi, M, Morstein, L, Hilge, M, Schuster, M, Merklinger, L, Klipp, A, Scott, D.J, Plueckthun, A. | Deposit date: | 2020-12-08 | Release date: | 2022-01-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.873 Å) | Cite: | Crystal structure of the alpha 1B -adrenergic receptor reveals molecular determinants of selective ligand recognition. Nat Commun, 13, 2022
|
|