Search by PDB author

Room temperature structure of hAChE in complex with substrate analog 4K-TMA and MMB4 oxime
分子名称:	1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, Acetylcholinesterase
著者	Kovalevsky, A, Gerlits, O, Radic, Z.
登録日	2021-07-05
公開日	2021-09-22
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure Curr Res Struct Biol, 3, 2021

8SSJ

Room-temperature X-ray structure of human mitochondrial serine hydroxymethyltransferase (hSHMT2)
分子名称:	CHLORIDE ION, Serine hydroxymethyltransferase, mitochondrial
著者	Drago, V.N, Kovalevsky, A.
登録日	2023-05-08
公開日	2023-08-16
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography. Commun Chem, 6, 2023

8SUI

Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state with L-Ser bound in a pre-Michalis complex
分子名称:	SERINE, SULFATE ION, Serine hydroxymethyltransferase
著者	Drago, V.N, Kovalevsky, A.
登録日	2023-05-12
公開日	2023-08-16
最終更新日	2023-11-15
実験手法	NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献	Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography. Commun Chem, 6, 2023

8SSY

Room-temperature X-ray structure of Thermus thermophilus serine hydroxymethyltransferase (SHMT) bound with D-Ser in a pseudo-Michaelis complex
分子名称:	D-SERINE, SULFATE ION, Serine hydroxymethyltransferase
著者	Drago, V.N, Kovalevsky, A.
登録日	2023-05-09
公開日	2023-08-16
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography. Commun Chem, 6, 2023

8SUJ

Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state
分子名称:	SULFATE ION, Serine hydroxymethyltransferase
著者	Drago, V.N, Kovalevsky, A.
登録日	2023-05-12
公開日	2023-08-16
最終更新日	2023-11-15
実験手法	NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献	Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography. Commun Chem, 6, 2023

6BBS

Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide
分子名称:	(+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者	Kovalevsky, A, Aggarwal, M, McKenna, R.
登録日	2017-10-19
公開日	2018-02-28
最終更新日	2024-03-13
実験手法	NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献	"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018

6BCC

Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide
分子名称:	6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者	Kovalevsky, A, McKenna, R, Aggarwal, M.
登録日	2017-10-20
公開日	2018-02-28
最終更新日	2023-10-04
実験手法	NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献	"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018

6BC9

Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide
分子名称:	(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者	Kovalevsky, A, McKenna, R, Aggarwal, M.
登録日	2017-10-20
公開日	2018-02-28
最終更新日	2023-10-04
実験手法	NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献	"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018

6BQ8

Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP
分子名称:	(4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ...
著者	Kim, C, Kovalevsky, A, Gerlits, O.
登録日	2017-11-27
公開日	2018-03-21
最終更新日	2024-04-03
実験手法	NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献	Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator. Biochemistry, 57, 2018

6D4L

Joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5
分子名称:	DNA (5'-D(GPTPGPGP(CSL)PCPAPC)-3'), MAGNESIUM ION
著者	Kovalevsky, A, Huang, Z, Vandavasi, V.G.
登録日	2018-04-18
公開日	2018-10-17
最終更新日	2023-10-04
実験手法	NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
主引用文献	Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA. Structure, 26, 2018

5T8H

Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with amprenavir at pH 6.0
分子名称:	Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者	Kovalevsky, A.Y, Gerlits, O.O.
登録日	2016-09-07
公開日	2017-03-01
最終更新日	2024-04-03
実験手法	NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献	Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K. J. Med. Chem., 60, 2017

6EXY

Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol
分子名称:	GLYCEROL, Galectin-3
著者	Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T.
登録日	2017-11-10
公開日	2018-09-12
最終更新日	2024-05-01
実験手法	NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION
主引用文献	Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018

5VJZ

Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5
分子名称:	2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, Aspartate aminotransferase, cytoplasmic
著者	Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C.
登録日	2017-04-20
公開日	2017-11-01
最終更新日	2022-03-16
実験手法	NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献	Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme. Nat Commun, 8, 2017

5VK7

aspartate aminotransferase pH 4.0
分子名称:	Aspartate aminotransferase, cytoplasmic
著者	Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C.
登録日	2017-04-21
公開日	2017-11-01
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme. Nat Commun, 8, 2017

4DUO

Room-temperature X-ray structure of D-Xylose Isomerase in complex with 2Mg2+ ions and xylitol at pH 7.7
分子名称:	MAGNESIUM ION, Xylitol, Xylose isomerase
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2012-02-22
公開日	2012-08-29
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography. Acta Crystallogr.,Sect.D, 68, 2012

4DVO

Room-temperature joint X-ray/neutron structure of D-xylose isomerase in complex with 2Ni2+ and per-deuterated D-sorbitol at pH 5.9
分子名称:	NICKEL (II) ION, Xylose isomerase, sorbitol
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2012-02-23
公開日	2012-08-29
最終更新日	2024-02-28
実験手法	NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献	Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography. Acta Crystallogr.,Sect.D, 68, 2012

3KBS

Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
分子名称:	CADMIUM ION, Xylose isomerase
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2009-10-20
公開日	2010-06-16
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010

3KBV

Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
分子名称:	NICKEL (II) ION, Xylose isomerase
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2009-10-20
公開日	2010-06-16
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010

3KBM

Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
分子名称:	CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2009-10-20
公開日	2010-06-16
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010

3KCJ

Room temperature neutron structure of apo-D-Xylose Isomerase (refined jointly with X-ray structure 3KBJ)
分子名称:	Xylose isomerase
著者	Kovalevsky, A.Y, Langan, P.
登録日	2009-10-21
公開日	2010-09-29
最終更新日	2024-04-03
実験手法	NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献	Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values Angew.Chem.Int.Ed.Engl., 50, 2011

3KBW

Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
分子名称:	MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2009-10-20
公開日	2010-06-16
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010

3KCL

Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM)
分子名称:	CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
著者	Kovalevsky, A.Y, Langan, P.
登録日	2009-10-21
公開日	2010-06-16
最終更新日	2024-04-03
実験手法	NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献	Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010

3KBJ

Room temperature X-ray structure of apo-D-Xylose Isomerase
分子名称:	Xylose isomerase
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2009-10-20
公開日	2010-09-29
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values. Angew.Chem.Int.Ed.Engl., 50, 2011

3KCO

Room temperature neutron structure of D-Xylose Isomerase in complex with two Ni2+ cations and d12-D-glucose in the linear form (refined jointly with X-ray structure 3KBN)
分子名称:	D-glucose, NICKEL (II) ION, Xylose isomerase
著者	Kovalevsky, A.Y, Langan, P.
登録日	2009-10-21
公開日	2010-06-16
最終更新日	2024-04-03
実験手法	NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献	Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010

3KBN

Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors and d12-D-glucose in the linear form
分子名称:	D-glucose, NICKEL (II) ION, Xylose isomerase
著者	Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日	2009-10-20
公開日	2010-06-16
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.53 Å)
主引用文献	Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study. Structure, 18, 2010

<1 2 3 456 7 >

全ヒット件数:	152
表示件数:	25
表示順	関連性が高い順