1K63
 
 | | Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with UT26 2-BROMO-2-PROPENE-1-OL at 1.8A resolution | | Descriptor: | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, 2-BROMO-2-PROPENE-1-OL, BROMIDE ION, ... | | Authors: | Streltsov, V.A, Damborsky, J, Wilce, M.C.J. | | Deposit date: | 2001-10-15 | | Release date: | 2003-08-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
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1K6E
 | | COMPLEX OF HYDROLYTIC HALOALKANE DEHALOGENASE LINB FROM SPHINGOMONAS PAUCIMOBILIS UT26 WITH 1,2-PROPANEDIOL (PRODUCT OF DEHALOGENATION OF 1,2-DIBROMOPROPANE) AT 1.85A | | Descriptor: | 1-BROMOPROPANE-2-OL, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Streltsov, V.A, Prokop, Z, Damborsky, J, Nagata, Y, Oakley, A, Wilce, M.C.J. | | Deposit date: | 2001-10-16 | | Release date: | 2003-08-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates.
Biochemistry, 42, 2003
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6H6Q
 | | Fragment Derived XIAP inhibitor | | Descriptor: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Williams, P.A. | | Deposit date: | 2018-07-30 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
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3KJ2
 | | Mcl-1 in complex with Bim BH3 mutant F4aE | | Descriptor: | ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Fire, E, Grant, R.A, Keating, A.E. | | Deposit date: | 2009-11-02 | | Release date: | 2010-02-16 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
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7ZZO
 | | HDAC2 in complex with an inhibitor | | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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5IBJ
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5W9S
 | | Zinc finger of human CXXC5 in complex with CpG DNA | | Descriptor: | CXXC-type zinc finger protein 5, CpG DNA fragment, SULFATE ION, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-23 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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1ZOL
 | | native beta-PGM | | Descriptor: | MAGNESIUM ION, beta-phosphoglucomutase | | Authors: | Zhang, G, Tremblay, L.W, Dai, J, Wang, L, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2005-05-13 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic cycling in beta-phosphoglucomutase: a kinetic and structural analysis
Biochemistry, 44, 2005
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8A5X
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3B6R
 | | Crystal structure of Human Brain-type Creatine Kinase | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Creatine kinase B-type, ... | | Authors: | Bong, S.M, Moon, J.H, Hwang, K.Y. | | Deposit date: | 2007-10-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008
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6QPJ
 | | Human CLOCK PAS-A domain | | Descriptor: | Circadian locomoter output cycles protein kaput | | Authors: | Kwon, H, Freeman, S.L, Moody, P.C.E, Raven, E.L, Basran, J. | | Deposit date: | 2019-02-14 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.315 Å) | | Cite: | Heme binding to human CLOCK affects interactions with the E-box.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1K5P
 | | Hydrolytic haloalkane dehalogenase LINB from sphingomonas paucimobilis UT26 at 1.8A resolution | | Descriptor: | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Streltsov, V.A, Damborsky, J, Wilce, M.C.J. | | Deposit date: | 2001-10-12 | | Release date: | 2003-08-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
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4UWN
 | | Lysozyme soaked with a ruthenium based CORM with a methione oxide ligand (complex 6b) | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | | Deposit date: | 2014-08-13 | | Release date: | 2014-12-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
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5WTB
 | | Complex Structure of Staphylococcus aureus SdrE with human complement factor H | | Descriptor: | Peptide from Complement factor H, Serine-aspartate repeat-containing protein E | | Authors: | Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X. | | Deposit date: | 2016-12-10 | | Release date: | 2017-07-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion
Biochem. J., 474, 2017
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3C6Q
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4QSI
 | | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2014-07-04 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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2YV1
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6ORU
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4R65
 | | Ternary complex crystal structure of R258A mutant of DNA polymerase Beta | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | | Deposit date: | 2014-08-22 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
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1MDN
 | | WILD TYPE MYOGLOBIN WITH CO | | Descriptor: | PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J. | | Deposit date: | 1998-08-12 | | Release date: | 1998-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution.
Biochemistry, 37, 1998
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4R63
 | | Binary complex crystal structure of R258A mutant of DNA polymerase Beta | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | | Deposit date: | 2014-08-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
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7TTP
 | | P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation | | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase | | Authors: | Greule, A, Izore, T, Cryle, M.J. | | Deposit date: | 2022-02-01 | | Release date: | 2022-05-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
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7TTA
 | | P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam | | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase | | Authors: | Greule, A, Izore, T, Cryle, M.J. | | Deposit date: | 2022-02-01 | | Release date: | 2022-05-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
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6DI4
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7TTQ
 | | P450 (OxyA) from kistamicin biosynthesis, imidazole complex | | Descriptor: | GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Greule, A, Izore, T, Cryle, M.J. | | Deposit date: | 2022-02-01 | | Release date: | 2022-05-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
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