2Q6N
 
 | | Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole | | Descriptor: | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R. | | Deposit date: | 2007-06-05 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
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1JKI
 | | myo-Inositol-1-phosphate Synthase Complexed with an Inhibitor, 2-deoxy-glucitol-6-phosphate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-DEOXY-GLUCITOL-6-PHOSPHATE, AMMONIUM ION, ... | | Authors: | Stein, A.J, Geiger, J.H. | | Deposit date: | 2001-07-12 | | Release date: | 2002-04-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure and mechanism of 1-L-myo-inositol- 1-phosphate synthase
J.Biol.Chem., 277, 2002
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3LWZ
 | | 1.65 Angstrom Resolution Crystal Structure of Type II 3-Dehydroquinate Dehydratase (aroQ) from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate dehydratase, BETA-MERCAPTOETHANOL, ... | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-02-24 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 1.65 Angstrom Resolution Crystal Structure of Type II 3-Dehydroquinate Dehydratase (aroQ) from Yersinia pestis.
TO BE PUBLISHED
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2WD8
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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4MGE
 | | 1.85 Angstrom Resolution Crystal Structure of PTS System Cellobiose-specific Transporter Subunit IIB from Bacillus anthracis. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PTS system, ... | | Authors: | Minasov, G, Shuvalova, L, Halavaty, A, Winsor, J, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-28 | | Release date: | 2013-09-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 Angstrom Resolution Crystal Structure of PTS System Cellobiose-specific Transporter Subunit IIB from Bacillus anthracis.
TO BE PUBLISHED
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3LTW
 | | The structure of mycobacterium marinum arylamine n-acetyltransferase in complex with hydralazine | | Descriptor: | 1-hydrazinophthalazine, Arylamine N-acetyltransferase Nat, FORMIC ACID | | Authors: | Abuhammad, A.M, Lowe, E.D, Fullam, E, Noble, M, Garman, E.F, Sim, E. | | Deposit date: | 2010-02-16 | | Release date: | 2010-07-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the architecture of the Mycobacterium marinum arylamine N-acetyltransferase active site
Protein Cell, 1, 2010
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1J51
 | | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE | | Descriptor: | 1,3,5-TRICHLORO-BENZENE, CYTOCHROME P450CAM, POTASSIUM ION, ... | | Authors: | Chen, X, Christopher, A, Jones, J, Guo, Q, Xu, F, Cao, R, Wong, L.L, Rao, Z. | | Deposit date: | 2002-01-05 | | Release date: | 2002-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene
J.BIOL.CHEM., 277, 2002
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4ELS
 | | Structure of E. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme A synthases (MENB) in complex with bicarbonate | | Descriptor: | 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, BICARBONATE ION, ... | | Authors: | Sun, Y.R, Song, H.G, Li, J, Jiang, M, Li, Y, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-04-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
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1E2K
 | | Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine | | Descriptor: | 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE | | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | | Deposit date: | 2000-05-23 | | Release date: | 2000-08-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine
Biochemistry, 39, 2000
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2AZQ
 | | Crystal Structure of Catechol 1,2-Dioxygenase from Pseudomonas arvilla C-1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, FE (III) ION, catechol 1,2-dioxygenase | | Authors: | Earhart, C.A, Vetting, M.W, Gosu, R, Michaud-Soret, I, Que, L, Ohlendorf, D.H. | | Deposit date: | 2005-09-12 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of catechol 1,2-dioxygenase from Pseudomonas arvilla
Biochem.Biophys.Res.Commun., 338, 2005
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1E2L
 | | Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine | | Descriptor: | 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE | | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | | Deposit date: | 2000-05-23 | | Release date: | 2000-08-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine
Biochemistry, 39, 2000
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4ELX
 | | Structure of apo E.coli. 1,4-dihydroxy-2- naphthoyl CoA synthases with Cl | | Descriptor: | 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, ... | | Authors: | Sun, Y.R, Song, H.G, Li, J, Jiang, M, Li, Y, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-04-11 | | Release date: | 2012-06-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
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1G6L
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4HEZ
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2DOO
 | | The structure of IMP-1 complexed with the detecting reagent (DansylC4SH) by a fluorescent probe | | Descriptor: | BETA-LACTAMASE IMP-1, N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE, ZINC ION | | Authors: | Kurosaki, H, Yamaguchi, Y, Yasuzawa, H, Jin, W, Yamagata, Y, Arakawa, Y. | | Deposit date: | 2006-05-01 | | Release date: | 2006-11-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Probing, inhibition, and crystallographic characterization of metallo-beta-lactamase (IMP-1) with fluorescent agents containing dansyl and thiol groups
Chemmedchem, 1, 2006
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1CP6
 | | 1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE | | Descriptor: | 1-BUTANE BORONIC ACID, PROTEIN (AMINOPEPTIDASE), ZINC ION | | Authors: | Depaola, C.C, Bennett, B, Holz, R.C, Ringe, D, Petsko, G.A. | | Deposit date: | 1999-06-08 | | Release date: | 1999-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development.
Biochemistry, 38, 1999
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2OO5
 | | Structure of transhydrogenase (dI.H2NADH)2(dIII.NADP+)1 asymmetric complex | | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | | Authors: | Bhakta, T, Jackson, J.B. | | Deposit date: | 2007-01-25 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the dI(2)dIII(1) Complex of Proton-Translocating Transhydrogenase with Bound, Inactive Analogues of NADH and NADPH Reveal Active Site Geometries
Biochemistry, 46, 2007
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2OOR
 | | Structure of transhydrogenase (dI.NAD+)2(dIII.H2NADPH)1 asymmetric complex | | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, ... | | Authors: | Bhakta, T, Jackson, J.B. | | Deposit date: | 2007-01-26 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structures of the dI(2)dIII(1) Complex of Proton-Translocating Transhydrogenase with Bound, Inactive Analogues of NADH and NADPH Reveal Active Site Geometries
Biochemistry, 46, 2007
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2EAB
 | | Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum (apo form) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-fucosidase, ... | | Authors: | Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R. | | Deposit date: | 2007-01-31 | | Release date: | 2007-04-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
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8XUC
 | | Crystal structure of AtHPPD + ZJ-1 complex | | Descriptor: | (1~{S},5~{R})-3-(3-chloranyl-1-ethyl-pyrrolo[2,3-b]pyridin-4-yl)carbonyl-4-oxidanyl-bicyclo[3.2.1]oct-3-en-2-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of AtHPPD + ZJ-1 complex
To Be Published
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8IRG
 | | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8IRB
 | | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8IRH
 | | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 200-microsecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8IR6
 | | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 20-nanosecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8IR7
 | | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-nanosecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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