1DMK
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![BU of 1dmk by Molmil](/molmil-images/mine/1dmk) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE | Descriptor: | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ... | Authors: | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | Deposit date: | 1999-12-14 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin J.Biol.Chem., 276, 2001
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2R9O
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![BU of 2r9o by Molmil](/molmil-images/mine/2r9o) | Cathepsin S complexed with Compound 8 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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2R9N
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![BU of 2r9n by Molmil](/molmil-images/mine/2r9n) | Cathepsin S complexed with Compound 26 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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1AFR
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![BU of 1afr by Molmil](/molmil-images/mine/1afr) | |
2DGC
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![BU of 2dgc by Molmil](/molmil-images/mine/2dgc) | |
2RJQ
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![BU of 2rjq by Molmil](/molmil-images/mine/2rjq) | Crystal structure of ADAMTS5 with inhibitor bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ... | Authors: | Mosyak, L, Stahl, M, Somers, W. | Deposit date: | 2007-10-15 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5. Protein Sci., 17, 2008
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2RK4
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![BU of 2rk4 by Molmil](/molmil-images/mine/2rk4) | Structure of M26I DJ-1 | Descriptor: | Protein DJ-1 | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | Deposit date: | 2007-10-16 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry, 47, 2008
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2DIV
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![BU of 2div by Molmil](/molmil-images/mine/2div) | Solution structure of the RRM domain of TRNA selenocysteine associated protein | Descriptor: | TRNA selenocysteine associated protein | Authors: | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-03-30 | Release date: | 2006-09-30 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the RRM domain of TRNA selenocysteine associated protein To be Published
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1A9B
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![BU of 1a9b by Molmil](/molmil-images/mine/1a9b) | DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ... | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | Deposit date: | 1998-04-03 | Release date: | 1998-10-21 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus. J.Mol.Biol., 285, 1999
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2R52
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![BU of 2r52 by Molmil](/molmil-images/mine/2r52) | |
2DNU
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![BU of 2dnu by Molmil](/molmil-images/mine/2dnu) | Solution structure of RSGI RUH-061, a SH3 domain from human | Descriptor: | SH3 multiple domains 1 | Authors: | Ohashi, W, Hirota, H, Nagashima, T, Kurosaki, C, Hayashi, F, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-26 | Release date: | 2006-10-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of RSGI RUH-061, a SH3 domain from human to be published
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2R9G
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![BU of 2r9g by Molmil](/molmil-images/mine/2r9g) | Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium | Descriptor: | AAA ATPase, central region, ACETATE ION, ... | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Shi, W, Toro, R, Meyer, A.J, Rutter, M, Wu, B, Groshong, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-12 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium. To be Published
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5KH9
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![BU of 5kh9 by Molmil](/molmil-images/mine/5kh9) | Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ... | Authors: | Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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1A4T
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![BU of 1a4t by Molmil](/molmil-images/mine/1a4t) | SOLUTION STRUCTURE OF PHAGE P22 N PEPTIDE-BOX B RNA COMPLEX, NMR, 20 STRUCTURES | Descriptor: | 20-MER BASIC PEPTIDE, BOXB RNA | Authors: | Cai, Z, Gorin, A.A, Frederick, R, Ye, X, Hu, W, Majumdar, A, Kettani, A, Patel, D.J. | Deposit date: | 1998-02-04 | Release date: | 1998-04-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of P22 transcriptional antitermination N peptide-boxB RNA complex. Nat.Struct.Biol., 5, 1998
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2C6C
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![BU of 2c6c by Molmil](/molmil-images/mine/2c6c) | membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid | Descriptor: | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-09 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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2REX
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![BU of 2rex by Molmil](/molmil-images/mine/2rex) | Crystal structure of the effector domain of PLXNB1 bound with Rnd1 GTPase | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-27 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the effector domain of PLXNB1 bound with Rnd1 GTPase. To be Published
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2RF8
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![BU of 2rf8 by Molmil](/molmil-images/mine/2rf8) | |
1AFF
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![BU of 1aff by Molmil](/molmil-images/mine/1aff) | DNA QUADRUPLEX CONTAINING GGGG TETRADS AND (T.A).A TRIADS, NMR, 8 STRUCTURES | Descriptor: | QUADRUPLEX DNA (5'-D(TP*AP*GP*G)-3') | Authors: | Kettani, A, Bouaziz, S, Wang, W, Jones, R.A, Patel, D.J. | Deposit date: | 1997-03-06 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Bombyx mori single repeat telomeric DNA sequence forms a G-quadruplex capped by base triads. Nat.Struct.Biol., 4, 1997
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2RG3
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![BU of 2rg3 by Molmil](/molmil-images/mine/2rg3) | Covalent complex structure of elastase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Leukocyte elastase | Authors: | Huang, W, Yamamoto, Y. | Deposit date: | 2007-10-02 | Release date: | 2008-07-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray snapshot of the mechanism of inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1-dioxide derivatives. J.Med.Chem., 51, 2008
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1A6R
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![BU of 1a6r by Molmil](/molmil-images/mine/1a6r) | GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A | Descriptor: | GAL6, SULFATE ION | Authors: | Joshua-Tor, L, Zheng, W, Johnston, S.A. | Deposit date: | 1998-02-27 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase. Cell(Cambridge,Mass.), 93, 1998
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2RLC
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![BU of 2rlc by Molmil](/molmil-images/mine/2rlc) | |
2RN5
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![BU of 2rn5 by Molmil](/molmil-images/mine/2rn5) | Humal Insulin Mutant B31Lys-B32Arg | Descriptor: | Insulin | Authors: | Bocian, W, Kozerski, L. | Deposit date: | 2007-12-06 | Release date: | 2008-10-28 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water/acetonitrile solution. Comparison with the solution structure of native human insulin monomer Biopolymers, 89, 2008
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2C6G
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![BU of 2c6g by Molmil](/molmil-images/mine/2c6g) | Membrane-bound glutamate carboxypeptidase II (GCPII) with bound 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: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-09 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer. EMBO J., 25, 2006
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2TSR
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![BU of 2tsr by Molmil](/molmil-images/mine/2tsr) | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | Deposit date: | 1998-06-19 | Release date: | 1999-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug. Biochemistry, 38, 1999
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2R5X
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![BU of 2r5x by Molmil](/molmil-images/mine/2r5x) | Crystal structure of uncharacterized conserved protein YugN from Geobacillus kaustophilus HTA426 | Descriptor: | Uncharacterized conserved protein | Authors: | Ramagopal, U.A, Patskovsky, Y, Shi, W, Toro, R, Meyer, A.J, Freeman, J, Wu, B, Koss, J, Groshong, C, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-04 | Release date: | 2007-09-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of uncharacterized protein YugN from Geobacillus kaustophilus HTA426. To be Published
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