5NSL
 
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4P5R
 | | Structure of oxidized W45Y mutant of amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION, SODIUM ION | | Authors: | Sukumar, N, Davidson, V.L. | | Deposit date: | 2014-03-19 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | The sole tryptophan of amicyanin enhances its thermal stability but does not influence the electronic properties of the type 1 copper site.
Arch.Biochem.Biophys., 550-551, 2014
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5PH2
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09597a | | Descriptor: | 1,2-ETHANEDIOL, 6-methylpyridine-3-carboxamide, Lysine-specific demethylase 4D, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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4P90
 | | Crystal structure of the kinase domain of human PAK1 in complex with compound 15 | | Descriptor: | Serine/threonine-protein kinase PAK 1, [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-04-01 | | Release date: | 2014-09-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Identification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.
MEDCHEMCOMM, 2014
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5F90
 | | Crystal structure of a Crenomytilus grayanus lectin in complex with Gb3 allyl | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-Propen-1-ol, GalNAc/Gal-specific lectin, ... | | Authors: | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | | Deposit date: | 2015-12-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
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2ZM1
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1NC6
 | | Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone | | Descriptor: | (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ... | | Authors: | Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E. | | Deposit date: | 2002-12-04 | | Release date: | 2003-09-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
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1IW2
 | | X-ray structure of Human Complement Protein C8gamma at pH=7.O | | Descriptor: | Complement Protein C8gamma | | Authors: | Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L. | | Deposit date: | 2002-04-11 | | Release date: | 2002-06-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
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1DYS
 | | Endoglucanase CEL6B from Humicola insolens | | Descriptor: | ENDOGLUCANASE | | Authors: | Davies, G.J, Brzozowski, A.M, Dauter, M, Varrot, A, Schulein, M. | | Deposit date: | 2000-02-08 | | Release date: | 2001-02-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Function of Humicola Insolens Family 6 Cellulases: Structure of the Endoglucanase, Cel6B, at 1.6 A Resolution
Biochem.J., 348, 2000
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4JMF
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5TBC
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1DFB
 | | STRUCTURE OF A HUMAN MONOCLONAL ANTIBODY FAB FRAGMENT AGAINST GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE I | | Descriptor: | IGG1-KAPPA 3D6 FAB (HEAVY CHAIN), IGG1-KAPPA 3D6 FAB (LIGHT CHAIN) | | Authors: | He, X.M, Rueker, F, Casale, E, Carter, D.C. | | Deposit date: | 1992-03-27 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of a human monoclonal antibody Fab fragment against gp41 of human immunodeficiency virus type 1.
Proc.Natl.Acad.Sci.USA, 89, 1992
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7E4A
 | | Crystal structure of MIF bound to compound 13 | | Descriptor: | CHLORIDE ION, Flavoxate, Macrophage migration inhibitory factor, ... | | Authors: | Fa, C.P, Guo, D.Y, Yang, L. | | Deposit date: | 2021-02-11 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.475 Å) | | Cite: | Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
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4CJR
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-22 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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2VFO
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125L | | Descriptor: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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4O3F
 | | Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | | Authors: | Li, X.L, Finci, I.L, Wang, J.H. | | Deposit date: | 2013-12-18 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.106 Å) | | Cite: | Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
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1W4R
 | | Structure of a type II thymidine kinase with bound dTTP | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Birringer, M.S, Claus, M.T, Folkers, G, Kloer, D.P, Schulz, G.E, Scapozza, L. | | Deposit date: | 2004-07-27 | | Release date: | 2005-02-01 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of a Type II Thymidine Kinase with Bound Dttp
FEBS Lett., 579, 2005
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4CJU
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4CKW
 | | Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1) | | Descriptor: | 3-DEHYDROQUINATE DEHYDRATASE, GLYCEROL | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-10 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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2VM0
 | | Crystal structure of radiation-induced myoglobin compound II generated after annealing of peroxymyoglobin | | Descriptor: | GLYCEROL, HYDROGEN PEROXIDE, HYDROXIDE ION, ... | | Authors: | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | Deposit date: | 2008-01-20 | | Release date: | 2008-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of Peroxymyoglobin Generated Through Cryoradiolytic Reduction of Myoglobin Compound III During Data Collection.
Biochem.J., 412, 2008
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5IJQ
 | | Crystal structure of autotaxin (ENPP2) re-refined | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-03-02 | | Release date: | 2016-06-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
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2VM6
 | | Human Bcl2-A1 in complex with Bim-BH3 peptide | | Descriptor: | BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION | | Authors: | Herman, M.D, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-23 | | Release date: | 2008-02-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim.
FEBS Lett., 582, 2008
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9J7G
 | | Crystal strcuture of Keap1_compound_8 | | Descriptor: | 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide, Kelch-like ECH-associated protein 1, ~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanamide | | Authors: | Xu, K. | | Deposit date: | 2024-08-18 | | Release date: | 2025-06-25 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.993 Å) | | Cite: | Chemical knockdown of Keap1 and homoPROTAC-ing allergic rhinitis.
Acta Pharm Sin B, 15, 2025
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3S0E
 | | Apis mellifera OBP14 in complex with the odorant eugenol (2-methoxy-4(2-propenyl)-phenol) | | Descriptor: | 2-methoxy-4-(prop-2-en-1-yl)phenol, OBP14 | | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | | Deposit date: | 2011-05-13 | | Release date: | 2011-11-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules.
Insect Biochem.Mol.Biol., 42, 2012
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4H2J
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