4COE
 
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-01-28 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4CLV
 | | Crystal Structure of dodecylphosphocholine-solubilized NccX from Cupriavidus metallidurans 31A | | Descriptor: | NICKEL-COBALT-CADMIUM RESISTANCE PROTEIN NCCX, PHOSPHATE ION, PHOSPHOCHOLINE, ... | | Authors: | Legrand, P, Girard, E, Petit-Hartlein, I, Maillard, A.P, Coves, J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | The X-Ray Structure of Nccx from Cupriavidus Metallidurans 31A Illustrates Potential Dangers of Detergent Solubilization When Generating and Interpreting Crystal Structures of Membrane Proteins.
J.Biol.Chem., 289, 2014
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4CHD
 | | Crystal structure of the '627' domain of the PB2 subunit of Thogoto virus polymerase | | Descriptor: | POLYMERASE ACIDIC PROTEIN | | Authors: | Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 2013-12-01 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains.
Plos One, 9, 2014
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4CXF
 | | Structure of CnrH in complex with the cytosolic domain of CnrY | | Descriptor: | CHLORIDE ION, CNRY, RNA POLYMERASE SIGMA FACTOR CNRH, ... | | Authors: | Maillard, A.P, Girard, E, Ziani, W, Petit-Hartlein, I, Kahn, R, Coves, J. | | Deposit date: | 2014-04-07 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Crystal Structure of the Anti-Sigma Factor Cnry in Complex with the Sigma Factor Cnrh Shows a New Structural Class of Anti- Sigma Factors Targeting Extracytoplasmic-Function Sigma Factors.
J.Mol.Biol., 426, 2014
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6DDL
 | | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state | | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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6DE2
 | | Crystal structure of the double mutant (D52N/L375F) of the full-length NT5C2 in the active state | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ... | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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4D0Y
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6DIZ
 | | EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | | Deposit date: | 2018-05-24 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid.
Plos Pathog., 15, 2019
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6DKD
 | | Yeast Ddi2 Cyanamide Hydratase | | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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4DNC
 | | Crystal structure of human MOF in complex with MSL1 | | Descriptor: | Histone acetyltransferase KAT8, Male-specific lethal 1 homolog, ZINC ION | | Authors: | Huang, J, Lei, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-07-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural insight into the regulation of MOF in the male-specific lethal complex and the non-specific lethal complex.
Cell Res., 22, 2012
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6DH9
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4DG3
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6DKC
 | | Yeast Ddi2 Cyanamide Hydratase, T157V mutant, apo structure | | Descriptor: | DNA damage-inducible protein, SULFATE ION, ZINC ION | | Authors: | Moore, S.A, Xiao, W, Li, J. | | Deposit date: | 2018-05-29 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of Ddi2, a highly inducible detoxifying metalloenzyme fromSaccharomyces cerevisiae.
J.Biol.Chem., 294, 2019
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4DGP
 | | The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2) | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y. | | Deposit date: | 2012-01-26 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
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4DTJ
 | | RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddT/dA as the Penultimate Base-pair | | Descriptor: | CALCIUM ION, DNA polymerase, DNA primer, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA.
Biochemistry, 51, 2012
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4DU3
 | | RB69 DNA Polymerase Ternary Complex with dDTP Opposite dT with 3-Deaza-adenine at the N-1 Position of Template Strand | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA.
Biochemistry, 51, 2012
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4DA4
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4DX7
 | | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop | | Descriptor: | Acriflavine resistance protein B, DARPIN, DECANE, ... | | Authors: | Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DZD
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6DRJ
 | | Structure of TRPM2 ion channel receptor by single particle electron cryo-microscopy, ADPR/Ca2+ bound state | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Transient receptor potential cation channel, ... | | Authors: | Du, J, Lu, W, Huang, Y, Winkler, P, Sun, W. | | Deposit date: | 2018-06-12 | | Release date: | 2018-09-19 | | Last modified: | 2018-10-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Architecture of the TRPM2 channel and its activation mechanism by ADP-ribose and calcium.
Nature, 562, 2018
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4DBB
 | | The PTB domain of Mint1 is autoinhibited by a helix in the C-terminal linker region | | Descriptor: | ACETIC ACID, Amyloid beta A4 precursor protein-binding family A member 1, CHLORIDE ION, ... | | Authors: | Tomchick, D.R, Rizo, J, Ho, A, Xu, Y. | | Deposit date: | 2012-01-13 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Autoinhibition of Mint1 adaptor protein regulates amyloid precursor protein binding and processing.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6DTL
 | | Mitogen-activated protein kinase 6 | | Descriptor: | Mitogen-activated protein kinase 6 | | Authors: | Ruble, J. | | Deposit date: | 2018-06-17 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.753 Å) | | Cite: | Bipartite anchoring of SCREAM enforces stomatal initiation by coupling MAP kinases to SPEECHLESS.
Nat.Plants, 5, 2019
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4E15
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6DU8
 | | Human Polycsytin 2-l1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystic kidney disease 2-like 1 protein | | Authors: | Hulse, R.E, Clapham, D.E, Li, Z, Huang, R.K, Zhang, J. | | Deposit date: | 2018-06-20 | | Release date: | 2018-07-25 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Cryo-EM structure of the polycystin 2-l1 ion channel.
Elife, 7, 2018
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6DV4
 | | HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2018-06-22 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands.
Eur J Med Chem, 160, 2018
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