7R1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r1e by Molmil](/molmil-images/mine/7r1e) | Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | GLYCEROL, Pesticidal crystal protein Cry11Ba | Authors: | Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-02-02 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
|
|
3UM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3um5 by Molmil](/molmil-images/mine/3um5) | Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Kamchonwongpaisan, S, Chitnumsub, P, Yuthavong, Y. | Deposit date: | 2011-11-12 | Release date: | 2012-07-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil. Antimicrob.Agents Chemother., 56, 2012
|
|
3UNJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3unj by Molmil](/molmil-images/mine/3unj) | CDK2 in complex with inhibitor YL1-038-31 | Descriptor: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9001 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
|
|
7R7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r7c by Molmil](/molmil-images/mine/7r7c) | State E2 nucleolar 60S ribosomal biogenesis intermediate - L1 stalk local model | Descriptor: | 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | Deposit date: | 2021-06-24 | Release date: | 2022-11-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4. Nat.Struct.Mol.Biol., 29, 2022
|
|
1IAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iam by Molmil](/molmil-images/mine/1iam) | STRUCTURE OF THE TWO AMINO-TERMINAL DOMAINS OF HUMAN INTERCELLULAR ADHESION MOLECULE-1, ICAM-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERCELLULAR ADHESION MOLECULE-1 | Authors: | Bella, J, Kolatkar, P.R, Marlor, C, Greve, J.M, Rossmann, M.G. | Deposit date: | 1998-02-22 | Release date: | 1998-04-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of the two amino-terminal domains of human ICAM-1 suggests how it functions as a rhinovirus receptor and as an LFA-1 integrin ligand. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
6LCO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lco by Molmil](/molmil-images/mine/6lco) | Crystal structure of bovine lactoperoxidase with substrates thiocynate and iodide bound at the distal heme side at 1.99 A resolution. | Descriptor: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Viswanathan, V, Sirohi, H.V, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2019-11-19 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Crystal structure of bovine lactoperoxidase with substrates thiocynate and iodide bound at the distal heme side at 1.99 A resolution. To Be Published
|
|
1IAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iao by Molmil](/molmil-images/mine/1iao) | CLASS II MHC I-AD IN COMPLEX WITH OVALBUMIN PEPTIDE 323-339 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC CLASS II I-AD | Authors: | Scott, C.A, Peterson, P.A, Teyton, L, Wilson, I.A. | Deposit date: | 1998-03-13 | Release date: | 1998-11-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of two I-Ad-peptide complexes reveal that high affinity can be achieved without large anchor residues. Immunity, 8, 1998
|
|
6DV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dv2 by Molmil](/molmil-images/mine/6dv2) | Crystal Structure of Human Mitochondrial Trifunctional Protein | Descriptor: | Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta | Authors: | Fu, Z, Xia, C, Battaile, K.P, Kim, J.P. | Deposit date: | 2018-06-22 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Crystal structure of human mitochondrial trifunctional protein, a fatty acid beta-oxidation metabolon. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
3ULT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ult by Molmil](/molmil-images/mine/3ult) | Crystal structure of an ice-binding protein from the perennial ryegrass, Lolium perenne | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Ice recrystallization inhibition protein-like protein | Authors: | Middleton, A.J, Faucher, F, Campbell, R.L, Davies, P.L. | Deposit date: | 2011-11-11 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Antifreeze protein from freeze-tolerant grass has a beta-roll fold with an irregularly structured ice-binding site. J.Mol.Biol., 416, 2012
|
|
2GEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gex by Molmil](/molmil-images/mine/2gex) | |
3UDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
|
|
3UDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3udq by Molmil](/molmil-images/mine/3udq) | Crystal Structure of BACE with Compound 13 | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
|
|
3UE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ue8 by Molmil](/molmil-images/mine/3ue8) | Kynurenine Aminotransferase II Inhibitors | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Kynurenine/alpha-aminoadipate aminotransferase, ... | Authors: | Dounay, A.B, Anderson, M, Bechle, B.M, Campbell, B.M, Claffey, M.M, Evdokimov, A, Edelweiss, E, Fonseca, K.R, Gan, X, Ghosh, S, Hayward, M.M, Horner, W, Kim, J.Y, McAllister, L.A, Pandit, J, Paradis, V, Parikh, V.D, Reese, M.R, Rong, S.B, Salafia, M.A, Schuyten, K, Strick, C.A, Tuttle, J.B, Valentine, J, Wang, H, Zawadzke, L.E, Verhoest, P.R. | Deposit date: | 2011-10-28 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia. ACS Med Chem Lett, 3, 2012
|
|
3UDM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3udm by Molmil](/molmil-images/mine/3udm) | Crystal Structure of BACE with Compound 8 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
|
|
4OD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4od0 by Molmil](/molmil-images/mine/4od0) | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | Descriptor: | 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | Deposit date: | 2014-01-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
|
|
6DU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6du4 by Molmil](/molmil-images/mine/6du4) | Crystal structure of hMettl16 catalytic domain in complex with MAT2A 3'UTR hairpin 1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase, ... | Authors: | Doxtader, K, Wang, P, Nam, Y. | Deposit date: | 2018-06-19 | Release date: | 2018-09-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Regulation of METTL16, an S-Adenosylmethionine Homeostasis Factor. Mol. Cell, 71, 2018
|
|
1I83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i83 by Molmil](/molmil-images/mine/1i83) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE) | Descriptor: | ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L. | Deposit date: | 2001-03-12 | Release date: | 2001-08-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase. J.Biol.Chem., 276, 2001
|
|
6DFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dfc by Molmil](/molmil-images/mine/6dfc) | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS) with a T-to-U substitution | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*AP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*UP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ... | Authors: | Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E. | Deposit date: | 2018-05-14 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences. Biochemistry, 2020
|
|
1I8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i8n by Molmil](/molmil-images/mine/1i8n) | CRYSTAL STRUCTURE OF LEECH ANTI-PLATELET PROTEIN | Descriptor: | ANTI-PLATELET PROTEIN, PROPIONAMIDE | Authors: | Huizinga, E.G, Schouten, A, Connolly, T.M, Kroon, J, Sixma, J.J, Gros, P. | Deposit date: | 2001-03-15 | Release date: | 2001-08-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of leech anti-platelet protein, an inhibitor of haemostasis. Acta Crystallogr.,Sect.D, 57, 2001
|
|
2GCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gcj by Molmil](/molmil-images/mine/2gcj) | Crystal Structure of the Pob3 middle domain | Descriptor: | Hypothetical 63.0 kDa protein in DAK1-ORC1 intergenic region | Authors: | VanDemark, A.P. | Deposit date: | 2006-03-14 | Release date: | 2006-05-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Structure of the yFACT Pob3-M Domain, Its Interaction with the DNA Replication Factor RPA, and a Potential Role in Nucleosome Deposition. Mol.Cell, 22, 2006
|
|
6L9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l9m by Molmil](/molmil-images/mine/6l9m) | H2-Ld complexed with AH1 peptide | Descriptor: | H2-Ld, SER-PRO-SER-TYR-VAL-TYR-HIS-GLN-PHE, b2m | Authors: | Wei, P.C, Yin, L. | Deposit date: | 2019-11-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6LIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lix by Molmil](/molmil-images/mine/6lix) | CRL Protein of Arabidopsis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic | Authors: | Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M. | Deposit date: | 2019-12-13 | Release date: | 2020-09-16 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function. Plant J., 104, 2020
|
|
7SB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sb8 by Molmil](/molmil-images/mine/7sb8) | d(GA(CGA)5) parallel-stranded homo-duplex | Descriptor: | COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ... | Authors: | Luteran, E.M, Paukstelis, P.J. | Deposit date: | 2021-09-24 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.317 Å) | Cite: | The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands. Acta Crystallogr D Struct Biol, 78, 2022
|
|
1HRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hra by Molmil](/molmil-images/mine/1hra) | THE SOLUTION STRUCTURE OF THE HUMAN RETINOIC ACID RECEPTOR-BETA DNA-BINDING DOMAIN | Descriptor: | RETINOIC ACID RECEPTOR, ZINC ION | Authors: | Knegtel, R.M.A, Katahira, M, Schilthuis, J.G, Bonvin, A.M.J.J, Boelens, R, Eib, D, Van Der Saag, P.T, Kaptein, R. | Deposit date: | 1993-07-25 | Release date: | 1994-01-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the human retinoic acid receptor-beta DNA-binding domain. J.Biomol.NMR, 3, 1993
|
|
6DWI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dwi by Molmil](/molmil-images/mine/6dwi) | |