5F0N
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![BU of 5f0n by Molmil](/molmil-images/mine/5f0n) | Cohesin subunit Pds5 | Descriptor: | cohesin subunit Pds5,cohesin subunit Pds5, cohesin subunit Pds5,KLTH0D07062p,cohesin subunit Pds5,cohesin subunit Pds5, cohesin subunit Pds5 | Authors: | Lee, B.-G, Jansma, M, Nasmyth, K, Lowe, J. | Deposit date: | 2015-11-27 | Release date: | 2016-04-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of the Cohesin Gatekeeper Pds5 and in Complex with Kleisin Scc1. Cell Rep, 14, 2016
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7PUD
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![BU of 7pud by Molmil](/molmil-images/mine/7pud) | Bryoporin - actinoporin from moss Physcomitrium patens | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bryoporin, SULFATE ION | Authors: | Solinc, G, Anderluh, G, Podobnik, M. | Deposit date: | 2021-09-29 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Pore-forming moss protein bryoporin is structurally and mechanistically related to actinoporins from evolutionarily distant cnidarians. J.Biol.Chem., 298, 2022
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1B4R
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![BU of 1b4r by Molmil](/molmil-images/mine/1b4r) | PKD DOMAIN 1 FROM HUMAN POLYCYSTEIN-1 | Descriptor: | PROTEIN (PKD1_HUMAN) | Authors: | Bycroft, M. | Deposit date: | 1998-12-28 | Release date: | 1999-01-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of a PKD domain from polycystin-1: implications for polycystic kidney disease. EMBO J., 18, 1999
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5SWA
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![BU of 5swa by Molmil](/molmil-images/mine/5swa) | |
1B5K
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![BU of 1b5k by Molmil](/molmil-images/mine/1b5k) | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE THYMIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*EDCP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*TP*GP*TP*AP*CP*G)-3') | Authors: | Cullinan, D, Korobka, A, Grollman, A.P, Patel, D.J, Eisenberg, M, De Santos, C.L. | Deposit date: | 1999-01-07 | Release date: | 1999-01-13 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structure of an oligodeoxynucleotide duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite thymidine: comparison with the duplex containing deoxyadenosine opposite the adduct. Biochemistry, 35, 1996
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3NW3
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![BU of 3nw3 by Molmil](/molmil-images/mine/3nw3) | Crystal structure of the complex of peptidoglycan recognition protein (PGRP-S) with the PGN Fragment at 2.5 A resolution | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, ALANINE, D-GLUTAMINE, ... | Authors: | Sharma, P, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-07-09 | Release date: | 2010-08-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multiligand specificity of pathogen-associated molecular pattern-binding site in peptidoglycan recognition protein J.Biol.Chem., 286, 2011
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5I6H
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![BU of 5i6h by Molmil](/molmil-images/mine/5i6h) | Crystal structure of CD-CT domains of Chaetomium thermophilum acetyl-CoA carboxylase | Descriptor: | Acetyl-CoA carboxylase-like protein | Authors: | Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. | Deposit date: | 2016-02-16 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.2 Å) | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase. Nat Commun, 7, 2016
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5F2B
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![BU of 5f2b by Molmil](/molmil-images/mine/5f2b) | Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis | Descriptor: | SULFATE ION, Streptavidin, [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium | Authors: | Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R. | Deposit date: | 2015-12-01 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directed evolution of artificial metalloenzymes for in vivo metathesis. Nature, 537, 2016
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5SWM
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5EWG
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![BU of 5ewg by Molmil](/molmil-images/mine/5ewg) | Ternary complex of human DNA polymerase eta inserting rATP opposite an 8-Oxodeoxyguanosine Lesion | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | Authors: | Su, Y, Egli, M, Guengerich, F.P. | Deposit date: | 2015-11-20 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of Ribonucleotide Incorporation by Human DNA Polymerase eta. J.Biol.Chem., 291, 2016
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1B7B
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![BU of 1b7b by Molmil](/molmil-images/mine/1b7b) | Carbamate kinase from Enterococcus faecalis | Descriptor: | CARBAMATE KINASE, SULFATE ION | Authors: | Marina, A, Alzari, P.M, Bravo, J, Uriarte, M, Barcelona, B, Fita, I, Rubio, V. | Deposit date: | 1999-01-20 | Release date: | 2000-01-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Carbamate kinase: New structural machinery for making carbamoyl phosphate, the common precursor of pyrimidines and arginine. Protein Sci., 8, 1999
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5SVR
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![BU of 5svr by Molmil](/molmil-images/mine/5svr) | Crystal structure of the ATP-gated human P2X3 ion channel bound to competitive antagonist A-317491 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, MAGNESIUM ION, ... | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | Deposit date: | 2016-08-07 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
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5SW0
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5EXQ
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![BU of 5exq by Molmil](/molmil-images/mine/5exq) | Human cytochrome c Y48H | Descriptor: | Cytochrome c, HEME C, SULFATE ION | Authors: | Fellner, M, Jameson, G.N.L, Ledgerwood, E.C, Wilbanks, S.M. | Deposit date: | 2015-11-24 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Altered structure and dynamics of pathogenic cytochrome c variants correlate with increased apoptotic activity. Biochem.J., 2021
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5EXZ
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![BU of 5exz by Molmil](/molmil-images/mine/5exz) | Crystal structure of purified recombinant CPV1 Polyhedra | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Boudes, M, Garriga, D, Coulibaly, F. | Deposit date: | 2015-11-24 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A pipeline for structure determination of in vivo-grown crystals using in cellulo diffraction. Acta Crystallogr D Struct Biol, 72, 2016
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1B9Z
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![BU of 1b9z by Molmil](/molmil-images/mine/1b9z) | BACILLUS CEREUS BETA-AMYLASE COMPLEXED WITH MALTOSE | Descriptor: | ACETATE ION, CALCIUM ION, PROTEIN (BETA-AMYLASE), ... | Authors: | Mikami, B, Adachi, M, Kage, T, Sarikaya, E, Nanmori, T, Shinke, R, Utsumi, S. | Deposit date: | 1999-03-06 | Release date: | 1999-03-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of raw starch-digesting Bacillus cereus beta-amylase complexed with maltose. Biochemistry, 38, 1999
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5IN8
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![BU of 5in8 by Molmil](/molmil-images/mine/5in8) | |
1AQU
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5F09
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![BU of 5f09 by Molmil](/molmil-images/mine/5f09) | Structure of inactive GCPII mutant in complex with beta-citryl glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Navratil, M, Pachl, P, Konvalinka, J. | Deposit date: | 2015-11-27 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities. Febs J., 283, 2016
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7PYA
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![BU of 7pya by Molmil](/molmil-images/mine/7pya) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Hydroxyazetidine hydrochloride | Descriptor: | Cholinephosphate cytidylyltransferase, azetidin-3-ol | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | Deposit date: | 2021-10-09 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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1JAA
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![BU of 1jaa by Molmil](/molmil-images/mine/1jaa) | Solution structure of lactam analogue (DapE) of HIV gp41 600-612 loop. | Descriptor: | DapE : (Ace)IWG(Dap)SGKLIETTA ANALOGUE OF HIV GP41 | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-05-30 | Release date: | 2003-07-01 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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5IB1
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![BU of 5ib1 by Molmil](/molmil-images/mine/5ib1) | Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR measured at 295 K | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ... | Authors: | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | Deposit date: | 2016-02-22 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype. J.Biol.Chem., 2019
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5F0V
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![BU of 5f0v by Molmil](/molmil-images/mine/5f0v) | X-ray crystal structure of a thiolase from Escherichia coli at 1.8 A resolution | Descriptor: | 1,2-ETHANEDIOL, Acetyl-CoA acetyltransferase | Authors: | Ithayaraja, M, Neelanjana, J, Wierenga, R, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2015-11-28 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a thiolase from Escherichia coli at 1.8 angstrom resolution. Acta Crystallogr.,Sect.F, 72, 2016
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4MHU
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![BU of 4mhu by Molmil](/molmil-images/mine/4mhu) | Crystal structure of EctD from S. alaskensis with bound Fe | Descriptor: | Ectoine hydroxylase, FE (III) ION, N-DODECYL-N,N-DIMETHYLGLYCINATE | Authors: | Widderich, N, Hoeppner, A, Pittelkow, M, Heider, J, Smits, S.H, Bremer, E. | Deposit date: | 2013-08-30 | Release date: | 2014-09-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Crystal structure of the ectoine hydroxylase, a snapshot of the active site. J.Biol.Chem., 289, 2014
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2Z4W
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![BU of 2z4w by Molmil](/molmil-images/mine/2z4w) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749 | Descriptor: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid) | Authors: | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
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