1GMY
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![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
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4KCU
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![BU of 4kcu by Molmil](/molmil-images/mine/4kcu) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with D-Malate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, D-MALATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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5GV4
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4PJL
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![BU of 4pjl by Molmil](/molmil-images/mine/4pjl) | Myosin VI motor domain A458E mutant in the Pi release state, space group P212121 - | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. | Deposit date: | 2014-05-12 | Release date: | 2015-04-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | How actin initiates the motor activity of Myosin. Dev.Cell, 33, 2015
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4BZU
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![BU of 4bzu by Molmil](/molmil-images/mine/4bzu) | The Solution Structure of the MLN 944-d(TATGCATA)2 Complex | Descriptor: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | Authors: | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | Deposit date: | 2013-07-30 | Release date: | 2013-08-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended. Biopolymers, 101, 2014
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4PQN
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![BU of 4pqn by Molmil](/molmil-images/mine/4pqn) | ITK kinase domain with compound GNE-9822 | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-03-03 | Release date: | 2014-07-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
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3G8F
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![BU of 3g8f by Molmil](/molmil-images/mine/3g8f) | Crystal structure of the complex formed between a group II phospholipase A2 and designed peptide inhibitor carbobenzoxy-dehydro-val-ala-arg-ser at 1.2 A resolution | Descriptor: | PHQ VAL ALA ARG SER peptide, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | Authors: | Singh, N, Kaur, P, Prem Kumar, R, Somvanshi, R.K, Perbandt, M, Betzel, C, Dey, S, Sharma, S, Singh, T.P. | Deposit date: | 2009-02-12 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structure of the Complex Formed between a Group II Phospholipase A2 and Designed Peptide Inhibitor Carbobenzoxy-Dehydro-Val-Ala-Arg-Ser at 1.2 A Resolution To be Published
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4KKU
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![BU of 4kku by Molmil](/molmil-images/mine/4kku) | Structure of BesA (Selenomethinone derivative - P212121) | Descriptor: | Membrane fusion protein | Authors: | Greene, N.P, Hinchliffe, P, Crow, A, Ababou, A, Hughes, C, Koronakis, V. | Deposit date: | 2013-05-06 | Release date: | 2013-07-10 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of an atypical periplasmic adaptor from a multidrug efflux pump of the spirochete Borrelia burgdorferi. Febs Lett., 587, 2013
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2JBH
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![BU of 2jbh by Molmil](/molmil-images/mine/2jbh) | Human phosphoribosyl transferase domain containing 1 | Descriptor: | CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ... | Authors: | Welin, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Eklund, H, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2006-12-07 | Release date: | 2006-12-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Studies of the Human Phosphoribosyltransferase Domain Containing Protein 1. FEBS J., 277, 2010
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6CWU
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![BU of 6cwu by Molmil](/molmil-images/mine/6cwu) | Protein Tyrosine Phosphatase 1B F135Y mutant | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M. | Deposit date: | 2018-03-31 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases. Biochemistry, 57, 2018
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2CCM
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![BU of 2ccm by Molmil](/molmil-images/mine/2ccm) | X-ray structure of Calexcitin from Loligo pealeii at 1.8A | Descriptor: | CALCIUM ION, CALEXCITIN | Authors: | Erskine, P.T, Beaven, G.D.E, Wood, S.P, Fox, G, Vernon, J, Giese, K.P, Cooper, J.B. | Deposit date: | 2006-01-16 | Release date: | 2006-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Neuronal Protein Calexcitin Suggests a Mode of Interaction in Signalling Pathways of Learning and Memory. J.Mol.Biol., 357, 2006
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2JD7
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3M32
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![BU of 3m32 by Molmil](/molmil-images/mine/3m32) | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | Deposit date: | 2010-03-08 | Release date: | 2010-09-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues. Biochemistry, 49, 2010
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4PAL
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![BU of 4pal by Molmil](/molmil-images/mine/4pal) | IONIC INTERACTIONS WITH PARVALBUMINS. CRYSTAL STRUCTURE DETERMINATION OF PIKE 4.10 PARVALBUMIN IN FOUR DIFFERENT IONIC ENVIRONMENTS | Descriptor: | CALCIUM ION, MAGNESIUM ION, PARVALBUMIN | Authors: | Declercq, J.P, Tinant, B, Parello, J, Rambaud, J. | Deposit date: | 1990-11-08 | Release date: | 1992-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ionic interactions with parvalbumins. Crystal structure determination of pike 4.10 parvalbumin in four different ionic environments. J.Mol.Biol., 220, 1991
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4EMF
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![BU of 4emf by Molmil](/molmil-images/mine/4emf) | Crystal structure of the complex of type I Ribosome inactivating protein in complex with 7n-methyl-8-hydroguanosine-5-p-diphosphate at 1.77 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Yamini, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-04-12 | Release date: | 2012-05-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina. Proteins, 81, 2013
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4PWY
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![BU of 4pwy by Molmil](/molmil-images/mine/4pwy) | Crystal structure of a Calmodulin-lysine N-methyltransferase fragment | Descriptor: | Calmodulin-lysine N-methyltransferase, GLYCEROL, MALONATE ION, ... | Authors: | Tempel, W, Hong, B.S, Walker, J.R, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-03-21 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a Calmodulin-lysine N-methyltransferase fragment TO BE PUBLISHED
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3MP9
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![BU of 3mp9 by Molmil](/molmil-images/mine/3mp9) | Structure of Streptococcal protein G B1 domain at pH 3.0 | Descriptor: | FORMIC ACID, Immunoglobulin G-binding protein G | Authors: | Tomlinson, J.H, Green, V.L, Baker, P.J, Williamson, M.P. | Deposit date: | 2010-04-26 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural origins of pH-dependent chemical shifts in the B1 domain of protein G. Proteins, 78, 2010
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7XQM
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4ENS
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![BU of 4ens by Molmil](/molmil-images/mine/4ens) | Structure of E530Q variant of E. coli KatE | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Loewen, P.C, Jha, V. | Deposit date: | 2012-04-13 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli. Arch.Biochem.Biophys., 526, 2012
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1FBI
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3M00
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![BU of 3m00 by Molmil](/molmil-images/mine/3m00) | Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION | Authors: | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | Deposit date: | 2010-03-02 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates. Acs Chem.Biol., 5, 2010
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6CMQ
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![BU of 6cmq by Molmil](/molmil-images/mine/6cmq) | Structure of human SHP2 without N-SH2 domain | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | Deposit date: | 2018-03-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
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4NJJ
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![BU of 4njj by Molmil](/molmil-images/mine/4njj) | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Manganese(II) | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | Deposit date: | 2013-11-10 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism. Nat.Chem.Biol., 10, 2014
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4QP5
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![BU of 4qp5 by Molmil](/molmil-images/mine/4qp5) | Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the presence of phosphate | Descriptor: | GLYCEROL, Lysostaphin, PHOSPHATE ION, ... | Authors: | Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M. | Deposit date: | 2014-06-22 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans. Febs J., 281, 2014
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3MJN
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![BU of 3mjn by Molmil](/molmil-images/mine/3mjn) | Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution | Descriptor: | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Srivastava, K, Vikram, G, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-04-13 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution To be Published
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