2NAB
 
 | | Nizp1-C2HR zinc finger structure | | Descriptor: | ZINC ION, Zinc finger protein 496 | | Authors: | Berardi, A, Quilici, G, Spiliotopoulos, D, Corral-Rodriguez, M, Martin, F, Degano, M, Tonon, G, Musco, G. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome.
Nucleic Acids Res., 44, 2016
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3UQS
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3R0I
 | | IspC in complex with an N-methyl-substituted hydroxamic acid | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | | Authors: | Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T. | | Deposit date: | 2011-03-08 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
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5HVY
 | | CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | | Descriptor: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | | Deposit date: | 2016-01-28 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.
Acs Med.Chem.Lett., 7, 2016
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6HPO
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3AP1
 | | Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with PAP and C4 peptide | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, C4 peptide, GLYCEROL, ... | | Authors: | Teramoto, T, Fujikawa, Y, Kawaguchi, Y, Kurogi, K, Soejima, M, Adachi, R, Nakanishi, Y, Mishiro-Sato, E, Liu, M.-C, Sakakibara, Y, Suiko, M, Kimura, M, Kakuta, Y. | | Deposit date: | 2010-10-09 | | Release date: | 2011-10-26 | | Last modified: | 2013-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human tyrosylprotein sulfotransferase-2 reveals the mechanism of protein tyrosine sulfation reaction.
Nat Commun, 4, 2013
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6MCJ
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6MCS
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-003 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | | Authors: | Bulut, H, Hayashi, H, Hattori, S.I, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2018-09-02 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants.
Antimicrob.Agents Chemother., 63, 2019
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1ISG
 | | Crystal Structure Analysis of BST-1/CD157 with ATPgammaS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, bone marrow stromal cell antigen 1 | | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | | Deposit date: | 2001-12-05 | | Release date: | 2002-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
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6HRQ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-09-28 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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5E0S
 | | crystal structure of the active form of the proteolytic complex clpP1 and clpP2 | | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2 | | Authors: | LI, M, Wlodawer, A, Maurizi, M. | | Deposit date: | 2015-09-29 | | Release date: | 2016-02-17 | | Last modified: | 2016-04-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and Functional Properties of the Active Form of the Proteolytic Complex, ClpP1P2, from Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
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6HTI
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HTT
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6LSH
 | | Crystal structure of the enterovirus 71 polymerase elongation complex (C2S6M form) | | Descriptor: | Genome polyprotein, RNA (35-MER), RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*CP*C)-3'), ... | | Authors: | Li, R, Wang, M, Jing, X, Gong, P. | | Deposit date: | 2020-01-17 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.231 Å) | | Cite: | Stringent control of the RNA-dependent RNA polymerase translocation revealed by multiple intermediate structures.
Nat Commun, 11, 2020
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3R04
 | | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | | Descriptor: | 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | | Authors: | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | | Deposit date: | 2011-03-07 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3APD
 | | Crystal structure of human PI3K-gamma in complex with CH5108134 | | Descriptor: | 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | | Deposit date: | 2010-10-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
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1S31
 | | Crystal Structure Analysis of the human Tub protein (isoform a) spanning residues 289 through 561 | | Descriptor: | TRIETHYLENE GLYCOL, tubby isoform a | | Authors: | Boutboul, S, Carroll, K.J, Basdevant, A, Gomez, C, Nandrot, E, Clement, K, Shapiro, L, Abitbol, M. | | Deposit date: | 2004-01-12 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | A novel human obesity and sensory deficit syndrome resulting from a mutation in the TUB gene
To be Published
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6HV4
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with ONX 0914 | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-10 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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1SEG
 | | Crystal structure of a toxin chimera between Lqh-alpha-IT from the scorpion Leiurus quinquestriatus hebraeus and AAH2 from Androctonus australis hector | | Descriptor: | AAH2: LQH-ALPHA-IT (FACE) CHIMERIC TOXIN, NITRATE ION, PROPANOIC ACID, ... | | Authors: | Karbat, I, Frolow, F, Froy, O, Gilles, N, Cohen, L, Turkov, M, Gordon, D, Gurevitz, M. | | Deposit date: | 2004-02-17 | | Release date: | 2004-08-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular basis of the high insecticidal potency of scorpion alpha-toxins.
J.Biol.Chem., 279, 2004
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6NW8
 | | SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM | | Descriptor: | Cn29 | | Authors: | Delepierre, M, Gurrola, G.B, Possani, L.D, Guijarro, J.I. | | Deposit date: | 2019-02-06 | | Release date: | 2019-07-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function.
Toxicon, 167, 2019
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6HW4
 | | Yeast 20S proteasome in complex with 16 | | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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1S4Z
 | | HP1 chromo shadow domain in complex with PXVXL motif of CAF-1 | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromobox protein homolog 1 | | Authors: | Thiru, A, Nietlispach, D, Mott, H.R, Okuwaki, M, Lyon, D, Nielsen, P.R, Hirshberg, M, Verreault, A, Murzina, N.V, Laue, E.D. | | Deposit date: | 2004-01-19 | | Release date: | 2004-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis of HP1/PXVXL motif peptide interactions and HP1 localisation to heterochromatin.
Embo J., 23, 2004
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6E2H
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6O0D
 | | Saxiphilin Apo structure | | Descriptor: | Saxiphilin | | Authors: | Yen, T.J, Lolicato, M, Minor, D.L. | | Deposit date: | 2019-02-16 | | Release date: | 2019-07-10 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
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3AUP
 | | Crystal structure of Basic 7S globulin from soybean | | Descriptor: | Basic 7S globulin | | Authors: | Yoshizawa, T, Shimizu, T, Taichi, M, Nishiuchi, Y, Yamabe, M, Shichijo, N, Unzai, S, Hirano, H, Sato, M, Hashimoto, H. | | Deposit date: | 2011-02-14 | | Release date: | 2011-04-27 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of basic 7S globulin, a xyloglucan-specific endo-beta-1,4-glucanase inhibitor protein-like protein from soybean lacking inhibitory activity against endo-beta-glucanase
Febs J., 278, 2011
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