8OFM
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5WMW
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5X1J
| Vanillate/3-O-methylgallate O-demethylase, LigM, vanillate complex form | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-3-METHOXYBENZOATE, ... | Authors: | Harada, A, Senda, T. | Deposit date: | 2017-01-26 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6 FEBS J., 284, 2017
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6SZ3
| Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158) | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-01 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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5W7B
| Rabbit acyloxyacyl hydrolase (AOAH), proteolytically processed, S262A mutant, with LPS | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2017-06-19 | Release date: | 2018-01-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the mammalian lipopolysaccharide detoxifier. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6T03
| Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017) | Descriptor: | 1,3-dihydroimidazole-2-thione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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1RD4
| An allosteric inhibitor of LFA-1 bound to its I-domain | Descriptor: | 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L | Authors: | Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A. | Deposit date: | 2003-11-05 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry Biochemistry, 43, 2004
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1REF
| ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 2,3-EPOXYPROPYL-BETA-D-XYLOSIDE | Descriptor: | (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II | Authors: | Rouvinen, J, Havukainen, R, Torronen, A. | Deposit date: | 1995-12-21 | Release date: | 1997-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei. Biochemistry, 35, 1996
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1RED
| ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 4,5-EPOXYPENTYL-BETA-D-XYLOSIDE | Descriptor: | 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II | Authors: | Rouvinen, J, Havukainen, R, Torronen, A. | Deposit date: | 1995-12-21 | Release date: | 1997-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei. Biochemistry, 35, 1996
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5WV1
| Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with ribose sugar at 1.90 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein, ... | Authors: | Shokeen, A, Singh, P.K, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-21 | Release date: | 2017-01-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with ribose sugar at
1.90 A resolution. To Be Published
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5WCH
| Crystal structure of the catalytic domain of human USP9X | Descriptor: | Probable ubiquitin carboxyl-terminal hydrolase FAF-X, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2018-07-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and activity-based labeling reveal the mechanisms for linkage-specific substrate recognition by deubiquitinase USP9X. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6SXT
| GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | Deposit date: | 2019-09-26 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
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4EVF
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4AF0
| Crystal structure of cryptococcal inosine monophosphate dehydrogenase | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MYCOPHENOLIC ACID, ... | Authors: | Valkov, E, Stamp, A, Morrow, C.A, Kobe, B, Fraser, J.A. | Deposit date: | 2012-01-15 | Release date: | 2012-10-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | De Novo GTP Biosynthesis is Critical for Virulence of the Fungal Pathogen Cryptococcus Neoformans Plos Pathog., 8, 2012
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1RIU
| Anti-Cocaine Antibody M82G2 Complexed With Norbenzoylecgonine | Descriptor: | 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, Fab M82G2, Heavy Chain, ... | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D. | Deposit date: | 2003-11-18 | Release date: | 2003-12-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carving a Binding Site: Structural Study of an Anti-Cocaine Antibody in Complex with Three Cocaine Analogs To be Published
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6SZ7
| Crystal structure of YTHDC1 with fragment 5 (DHU_DC1_066) | Descriptor: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZR
| Crystal structure of YTHDC1 with fragment 9 (DHU_DC1_107) | Descriptor: | 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZX
| Crystal structure of YTHDC1 with fragment 11 (DHU_DC1_128) | Descriptor: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T06
| Crystal structure of YTHDC1 with fragment 19 (DHU_DC1_045) | Descriptor: | 3-imidazolidin-2-yl-2~{H}-indazole, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T0C
| Crystal structure of YTHDC1 with fragment 26 (DHU_DC1_198) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-2~{H}-indazole-3-carboxamide | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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1RP1
| DOG PANCREATIC LIPASE RELATED PROTEIN 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PANCREATIC LIPASE RELATED PROTEIN 1 | Authors: | Roussel, A, Cambillau, C. | Deposit date: | 1998-04-02 | Release date: | 1998-06-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reactivation of the totally inactive pancreatic lipase RP1 by structure-predicted point mutations. Proteins, 32, 1998
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5WIV
| Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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6SS5
| Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation. Proc.Natl.Acad.Sci.USA, 117, 2020
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4DPK
| Structure of malonyl-coenzyme A reductase from crenarchaeota | Descriptor: | Malonyl-CoA/succinyl-CoA reductase, PHOSPHATE ION | Authors: | Demmer, U, Warkentin, E, Srivastava, A, Kockelkorn, D, Fuchs, G, Ermler, U. | Deposit date: | 2012-02-13 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for a Bispecific NADP+ and CoA Binding Site in an Archaeal Malonyl-Coenzyme A Reductase. J.Biol.Chem., 288, 2013
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5WJO
| Crystal structure of the unliganded PG90 TCR | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-24 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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