7LRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lrc by Molmil](/molmil-images/mine/7lrc) | Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement | Descriptor: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Fuller, J.R, Garvie, C.W, Lemke, C.T. | Deposit date: | 2021-02-16 | Release date: | 2021-06-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun, 12, 2021
|
|
5SYB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5syb by Molmil](/molmil-images/mine/5syb) | Crystal structure of human PHF5A | Descriptor: | 1,2-ETHANEDIOL, PHD finger-like domain-containing protein 5A, ZINC ION | Authors: | Tsai, J.H.C, Teng, T, Zhu, P, Fekkes, P, Larsen, N.A. | Deposit date: | 2016-08-10 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Splicing modulators act at the branch point adenosine binding pocket defined by the PHF5A-SF3b complex. Nat Commun, 8, 2017
|
|
1UP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1up7 by Molmil](/molmil-images/mine/1up7) | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | Deposit date: | 2003-09-29 | Release date: | 2004-11-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides J.Mol.Biol., 346, 2005
|
|
4HXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxx by Molmil](/molmil-images/mine/4hxx) | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 | Descriptor: | (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ... | Authors: | Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1. Bioorg.Med.Chem., 21, 2013
|
|
1UP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1up4 by Molmil](/molmil-images/mine/1up4) | |
1UP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1up6 by Molmil](/molmil-images/mine/1up6) | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ... | Authors: | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | Deposit date: | 2003-09-29 | Release date: | 2004-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima. J.Am.Chem.Soc., 126, 2004
|
|
7Q10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q10 by Molmil](/molmil-images/mine/7q10) | Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-17 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
|
|
7Q1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q1d by Molmil](/molmil-images/mine/7q1d) | Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-18 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | 3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa To Be Published
|
|
7Q0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0q by Molmil](/molmil-images/mine/7q0q) | Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B | Descriptor: | 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-16 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
|
|
7Q1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q1x by Molmil](/molmil-images/mine/7q1x) | Acetyltrasferase(3) type IIIa in complex with neomycin B | Descriptor: | Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pontillo, N, Guskov, A. | Deposit date: | 2021-10-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism To Be Published
|
|
7TD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7td5 by Molmil](/molmil-images/mine/7td5) | Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | Descriptor: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | Authors: | Gong, L, Jiao, L, Liu, X. | Deposit date: | 2021-12-30 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site. Nat Commun, 13, 2022
|
|
6S1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s1x by Molmil](/molmil-images/mine/6s1x) | |
6RBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rbc by Molmil](/molmil-images/mine/6rbc) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157 | Descriptor: | (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Kutil, Z. | Deposit date: | 2019-04-10 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J.Med.Chem., 63, 2020
|
|
5U39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u39 by Molmil](/molmil-images/mine/5u39) | Pseudomonas aeruginosa LpxC in complex with CHIR-090 | Descriptor: | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Sprague, E.R. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J. Med. Chem., 60, 2017
|
|
5TOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5toz by Molmil](/molmil-images/mine/5toz) | JAK3 with covalent inhibitor PF-06651600 | Descriptor: | 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-10-19 | Release date: | 2016-11-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem. Biol., 11, 2016
|
|
4FFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ffw by Molmil](/molmil-images/mine/4ffw) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
|
|
3NGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ngo by Molmil](/molmil-images/mine/3ngo) | Crystal structure of the human CNOT6L nuclease domain in complex with poly(A) DNA | Descriptor: | 5'-D(*AP*AP*AP*A)-3', CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | Deposit date: | 2010-06-12 | Release date: | 2010-07-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity. Embo J., 2010
|
|
3NGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ngq by Molmil](/molmil-images/mine/3ngq) | Crystal structure of the human CNOT6L nuclease domain | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | Deposit date: | 2010-06-13 | Release date: | 2010-07-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity. Embo J., 2010
|
|
3NGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ngn by Molmil](/molmil-images/mine/3ngn) | Crystal structure of the human CNOT6L nuclease domain in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CCR4-NOT transcription complex subunit 6-like | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | Deposit date: | 2010-06-12 | Release date: | 2010-07-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity. Embo J., 2010
|
|
4RBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rby by Molmil](/molmil-images/mine/4rby) | |
4RC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rc0 by Molmil](/molmil-images/mine/4rc0) | |
4R0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r0e by Molmil](/molmil-images/mine/4r0e) | |
4RBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rbz by Molmil](/molmil-images/mine/4rbz) | |
7UC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uc2 by Molmil](/molmil-images/mine/7uc2) | |
7UAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ual by Molmil](/molmil-images/mine/7ual) | |