5U2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u2b by Molmil](/molmil-images/mine/5u2b) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide | Descriptor: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor | Authors: | Nwachukwu, J.C, Nowak, J, Carlson, K.E, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-11-30 | Release date: | 2017-04-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells. Mol. Cell, 65, 2017
|
|
5FB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fb8 by Molmil](/molmil-images/mine/5fb8) | Structure of Interleukin-16 bound to the 14.1 antibody | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-IL-16 antibody 14.1 Fab domain Heavy Chain, ... | Authors: | Hall, G, Cowan, R, Bayliss, R, Carr, M. | Deposit date: | 2015-12-14 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure of a Potential Therapeutic Antibody Bound to Interleukin-16 (IL-16): MECHANISTIC INSIGHTS AND NEW THERAPEUTIC OPPORTUNITIES. J.Biol.Chem., 291, 2016
|
|
4Y3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y3b by Molmil](/molmil-images/mine/4y3b) | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4Y32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y32 by Molmil](/molmil-images/mine/4y32) | Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC | Authors: | Bartel, M, Milroy, L, Bier, D, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4QUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4quv by Molmil](/molmil-images/mine/4quv) | Structure of an integral membrane delta(14)-sterol reductase | Descriptor: | Delta(14)-sterol reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, X, Blobel, G. | Deposit date: | 2014-07-12 | Release date: | 2014-10-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.743 Å) | Cite: | Structure of an integral membrane sterol reductase from Methylomicrobium alcaliphilum. Nature, 517, 2015
|
|
4RUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rut by Molmil](/molmil-images/mine/4rut) | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | Descriptor: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic 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: | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | Deposit date: | 2014-11-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase. J.Biol.Chem., 290, 2015
|
|
4U26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u26 by Molmil](/molmil-images/mine/4u26) | Crystal structure of the E. coli ribosome bound to dalfopristin and quinupristin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
|
|
4U24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u24 by Molmil](/molmil-images/mine/4u24) | Crystal structure of the E. coli ribosome bound to dalfopristin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
|
|
5Z62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z62 by Molmil](/molmil-images/mine/5z62) | Structure of human cytochrome c oxidase | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, COPPER (II) ION, ... | Authors: | Gu, J, Zong, S, Wu, M, Yang, M. | Deposit date: | 2018-01-22 | Release date: | 2019-02-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of the intact 14-subunit human cytochrome c oxidase. Cell Res., 28, 2018
|
|
1CQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cqs by Molmil](/molmil-images/mine/1cqs) | CRYSTAL STRUCTURE OF D103E MUTANT WITH EQUILENINEOF KSI IN PSEUDOMONAS PUTIDA | Descriptor: | EQUILENIN, PROTEIN : KETOSTEROID ISOMERASE | Authors: | Choi, G, Ha, N.C, Kim, S.W, Kim, D.H, Park, S, Oh, B.H, Choi, K.Y. | Deposit date: | 1999-08-11 | Release date: | 2003-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Asp-99 donates a hydrogen bond not to Tyr-14 but to the steroid directly
in the catalytic mechanism of Delta 5-3-ketosteroid isomerase from
Pseudomonas putida biotype B Biochemistry, 39, 2000
|
|
4O46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o46 by Molmil](/molmil-images/mine/4o46) | 14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228 | Descriptor: | 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ... | Authors: | Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-18 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1. Nat Commun, 5, 2014
|
|
1M5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m5q by Molmil](/molmil-images/mine/1m5q) | Crystal structure of a novel Sm-like archaeal protein from Pyrobaculum aerophilum | Descriptor: | ACETIC ACID, CADMIUM ION, GLYCEROL, ... | Authors: | Mura, C, Phillips, M, Kozhukhovsky, A, Eisenberg, D. | Deposit date: | 2002-07-09 | Release date: | 2003-03-18 | Last modified: | 2017-05-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and assembly of an augmented Sm-like archaeal protein 14-mer Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
5LX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lx2 by Molmil](/molmil-images/mine/5lx2) | |
1KNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kng by Molmil](/molmil-images/mine/1kng) | Crystal structure of CcmG reducing oxidoreductase at 1.14 A | Descriptor: | THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY | Authors: | Edeling, M.A, Guddat, L.W, Fabianek, R.A, Thony-Meyer, L, Martin, J.L. | Deposit date: | 2001-12-18 | Release date: | 2002-07-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure of CcmG/DsbE at 1.14 A resolution: high-fidelity reducing activity in an indiscriminately oxidizing environment Structure, 10, 2002
|
|
2JF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jf1 by Molmil](/molmil-images/mine/2jf1) | |
6X4N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x4n by Molmil](/molmil-images/mine/6x4n) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
|
|
6X4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x4p by Molmil](/molmil-images/mine/6x4p) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
|
|
6X4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x4q by Molmil](/molmil-images/mine/6x4q) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | Descriptor: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
|
|
6X4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x4o by Molmil](/molmil-images/mine/6x4o) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | Descriptor: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
|
|
6W50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w50 by Molmil](/molmil-images/mine/6w50) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2020-03-12 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J.Med.Chem., 63, 2020
|
|
1YLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ylt by Molmil](/molmil-images/mine/1ylt) | Atomic resolution structure of CTX-M-14 beta-lactamase | Descriptor: | SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-14 | Authors: | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | Deposit date: | 2005-01-19 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability. J.Mol.Biol., 348, 2005
|
|
6II4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ii4 by Molmil](/molmil-images/mine/6ii4) | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4A-14 | Descriptor: | Heavy chain of L4A-14 Fab, Hemagglutinin, Light chain of L4A-14 Fab | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2018-10-03 | Release date: | 2018-10-24 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans. Nat Microbiol, 4, 2019
|
|
1YA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ya0 by Molmil](/molmil-images/mine/1ya0) | Crystal structure of the N-terminal domain of human SMG7 | Descriptor: | SMG-7 transcript variant 2, SULFATE ION | Authors: | Fukuhara, N, Ebert, J, Unterholzner, L, Lindner, D, Izaurralde, E, Conti, E. | Deposit date: | 2004-12-17 | Release date: | 2005-03-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | SMG7 Is a 14-3-3-like Adaptor in the Nonsense-Mediated mRNA Decay Pathway. Mol.Cell, 17, 2005
|
|
5YSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ysy by Molmil](/molmil-images/mine/5ysy) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2R,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | Descriptor: | (1R,2R,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]e thenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | Authors: | Takimoto-Kamimura, M, Kakuda, S. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor. Org. Biomol. Chem., 16, 2018
|
|
5YT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yt2 by Molmil](/molmil-images/mine/5yt2) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | Descriptor: | (1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | Authors: | Takimoto-Kamimura, M, Kakuda, S. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor. Org. Biomol. Chem., 16, 2018
|
|