4PTI
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![BU of 4pti by Molmil](/molmil-images/mine/4pti) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | TRYPSIN INHIBITOR | Authors: | Huber, R, Kukla, D, Ruehlmann, A, Epp, O, Formanek, H, Deisenhofer, J, Steigemann, W. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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2AXE
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![BU of 2axe by Molmil](/molmil-images/mine/2axe) | IODINATED COMPLEX OF ACETYL XYLAN ESTERASE AT 1.80 ANGSTROMS | Descriptor: | ACETYL XYLAN ESTERASE, SULFATE ION | Authors: | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | Deposit date: | 1998-09-01 | Release date: | 1999-05-18 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase. Acta Crystallogr.,Sect.D, 55, 1999
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3HJ2
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3HJD
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4KOM
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![BU of 4kom by Molmil](/molmil-images/mine/4kom) | The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with avian receptor analog 3'SLNLN (NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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2K4K
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![BU of 2k4k by Molmil](/molmil-images/mine/2k4k) | Solution structure of GSP13 from Bacillus subtilis | Descriptor: | General stress protein 13 | Authors: | Yu, W, Yu, B, Hu, J, Jin, C, Xia, B. | Deposit date: | 2008-06-13 | Release date: | 2009-05-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of GSP13 from Bacillus subtilis exhibits an S1 domain related to cold shock proteins. J.Biomol.Nmr, 43, 2009
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2K25
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4G5S
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![BU of 4g5s by Molmil](/molmil-images/mine/4g5s) | Structure of LGN GL3/Galphai3 complex | Descriptor: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | Deposit date: | 2012-07-18 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
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2AHN
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![BU of 2ahn by Molmil](/molmil-images/mine/2ahn) | High resolution structure of a cherry allergen Pru av 2 | Descriptor: | Thaumatin-like protein | Authors: | Dall'Antonia, Y, Pavkov, T, Fuchs, H, Breiteneder, H, Keller, W. | Deposit date: | 2005-07-28 | Release date: | 2006-10-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The high-resolution crystal structure of an allergenic thaumatin-like protein, Pru av 2, isolated from ripe cherries To be published
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2K22
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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2H60
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![BU of 2h60 by Molmil](/molmil-images/mine/2h60) | Solution Structure of Human Brg1 Bromodomain | Descriptor: | Probable global transcription activator SNF2L4 | Authors: | Shen, W, Xu, C, Zhang, J, Wu, J, Shi, Y. | Deposit date: | 2006-05-30 | Release date: | 2007-02-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of human Brg1 bromodomain and its specific binding to acetylated histone tails Biochemistry, 46, 2007
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1O0D
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![BU of 1o0d by Molmil](/molmil-images/mine/1o0d) | Human Thrombin complexed with a d-Phe-Pro-Arg-type Inhibitor and a C-terminal Hirudin derived exo-site inhibitor | Descriptor: | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID, Decapeptide Hirudin Analogue, Thrombin heavy chain, ... | Authors: | Lange, U.E, Bauke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | Deposit date: | 2003-02-21 | Release date: | 2003-10-14 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety Bioorg.Med.Chem.Lett., 13, 2003
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3JUM
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![BU of 3jum by Molmil](/molmil-images/mine/3jum) | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with 5-bromo-2-((1S,3R)-3-carboxycyclohexylamino)benzoic acid | Descriptor: | 5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid, Phenazine biosynthesis protein A/B | Authors: | Mentel, M, Breinbauer, R, Blankenfeldt, W. | Deposit date: | 2009-09-15 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously Angew.Chem.Int.Ed.Engl., 48, 2009
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2K24
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1C3X
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![BU of 1c3x by Molmil](/molmil-images/mine/1c3x) | PURINE NUCLEOSIDE PHOSPHORYLASE FROM CELLULOMONAS SP. IN COMPLEX WITH 8-IODO-GUANINE | Descriptor: | 8-IODO-GUANINE, CALCIUM ION, PENTOSYLTRANSFERASE, ... | Authors: | Tebbe, J, Bzowska, A, Wielgus-Kutrowska, B, Schroeder, W, Kazimierczuk, Z, Shugar, D, Saenger, W, Koellner, G. | Deposit date: | 1999-07-29 | Release date: | 1999-12-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the purine nucleoside phosphorylase (PNP) from Cellulomonas sp. and its implication for the mechanism of trimeric PNPs. J.Mol.Biol., 294, 1999
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3SLB
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![BU of 3slb by Molmil](/molmil-images/mine/3slb) | Crystal structure of BA2930 in complex with AcCoA and cytosine | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-AMINOPYRIMIDIN-2(1H)-ONE, ... | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-06-24 | Release date: | 2011-07-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of BA2930 in complex with AcCoA and cytosine TO BE PUBLISHED
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3SLF
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![BU of 3slf by Molmil](/molmil-images/mine/3slf) | Crystal structure of BA2930 in complex with AcCoA and uracil | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ... | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-06-24 | Release date: | 2011-07-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of BA2930 in complex with AcCoA and uracil TO BE PUBLISHED
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2HTE
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![BU of 2hte by Molmil](/molmil-images/mine/2hte) | The crystal structure of spermidine synthase from p. falciparum in complex with 5'-methylthioadenosine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, SULFATE ION, ... | Authors: | Qiu, W, Dong, A, Ren, H, Wu, H, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-25 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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2FEQ
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![BU of 2feq by Molmil](/molmil-images/mine/2feq) | orally active thrombin inhibitors | Descriptor: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | Authors: | Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W. | Deposit date: | 2005-12-16 | Release date: | 2006-08-08 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety Bioorg.Med.Chem.Lett., 16, 2006
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2FDS
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![BU of 2fds by Molmil](/molmil-images/mine/2fds) | Crystal Structure of Plasmodium Berghei Orotidine 5'-monophosphate Decarboxylase (ortholog of Plasmodium falciparum PF10_0225) | Descriptor: | IODIDE ION, orotidine-monophosphate-decarboxylase | Authors: | Qiu, W, Dong, A, Wasney, G, Vedadi, M, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Weigelt, J, Sundstrom, M, Edwards, A, Arrowsmith, C, Hui, R, Gao, M, Bochkarev, A, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2005-12-14 | Release date: | 2005-12-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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2KXS
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![BU of 2kxs by Molmil](/molmil-images/mine/2kxs) | ZO1 ZU5 domain in complex with GRINL1A peptide | Descriptor: | Tight junction protein ZO-1,Myocardial zonula adherens protein | Authors: | Wen, W, Zhang, M. | Deposit date: | 2010-05-12 | Release date: | 2011-03-30 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Cdc42-dependent formation of the ZO-1/MRCKb complex at the leading edge controls cell migration Embo J., 30, 2011
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6WBN
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![BU of 6wbn by Molmil](/molmil-images/mine/6wbn) | Cryo-EM structure of human Pannexin 1 channel N255A mutant, gap junction | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ... | Authors: | Lu, W, Du, J, Ruan, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-06-03 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structures of human pannexin 1 reveal ion pathways and mechanism of gating. Nature, 584, 2020
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6VXT
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![BU of 6vxt by Molmil](/molmil-images/mine/6vxt) | Activated Nitrogenase MoFe-protein from Azotobacter vinelandii | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Kang, W, Hu, Y, Ribbe, M.W. | Deposit date: | 2020-02-24 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase. Science, 368, 2020
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3BPJ
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![BU of 3bpj by Molmil](/molmil-images/mine/3bpj) | Crystal structure of human translation initiation factor 3, subunit 1 alpha | Descriptor: | Eukaryotic translation initiation factor 3 subunit J, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Nedyalkova, L, Hong, B, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-18 | Release date: | 2008-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of human translation initiation factor 3, subunit 1 alpha. To be Published
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