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8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-07-22
Release date:2023-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
3KBS
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BU of 3kbs by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
Descriptor: CADMIUM ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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BU of 3kbm by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
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BU of 3kbv by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
Descriptor: NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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BU of 3kcj by Molmil
Room temperature neutron structure of apo-D-Xylose Isomerase (refined jointly with X-ray structure 3KBJ)
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-09-29
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite: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
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BU of 3kbw by Molmil
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
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BU of 3kcl by Molmil
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)
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite: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
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BU of 3kbj by Molmil
Room temperature X-ray structure of apo-D-Xylose Isomerase
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
1WWH
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BU of 1wwh by Molmil
Crystal structure of the MPPN domain of mouse Nup35
Descriptor: nucleoporin 35
Authors:Handa, N, Murayama, K, Kukimoto, M, Hamana, H, Uchikubo, T, Takemoto, C, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of mouse Nup35 reveals atypical RNP motifs and novel homodimerization of the RRM domain
J.Mol.Biol., 363, 2006
8BHD
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BU of 8bhd by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
Descriptor: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
Authors:Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
7TUR
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BU of 7tur by Molmil
Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP)
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ...
Authors:Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction.
Chem Sci, 13, 2022
1NTD
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BU of 1ntd by Molmil
STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE MUTANT M150E THAT CONTAINS ZINC
Descriptor: COPPER (II) ION, NITRITE REDUCTASE
Authors:Murphy, M.E.P, Adman, E.T, Turley, S.
Deposit date:1995-07-03
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Alcaligenes faecalis nitrite reductase and a copper site mutant, M150E, that contains zinc.
Biochemistry, 34, 1995
5B86
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BU of 5b86 by Molmil
Crystal structure of M-Sec
Descriptor: Tumor necrosis factor alpha-induced protein 2
Authors:Yamashita, M, Sato, Y, Yamagata, A, Fukai, S.
Deposit date:2016-06-12
Release date:2016-10-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.017 Å)
Cite:Distinct Roles for the N- and C-terminal Regions of M-Sec in Plasma Membrane Deformation during Tunneling Nanotube Formation.
Sci Rep, 6, 2016
8RUU
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BU of 8ruu by Molmil
Fabs derived from bimekizumab in complex with IL-17F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ...
Authors:Adams, R, Lawson, A.D.G.
Deposit date:2024-01-31
Release date:2024-04-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition.
J Invest Dermatol., 144, 2024
6Z2H
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BU of 6z2h by Molmil
Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA.
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ATP-citrate synthase, ...
Authors:Verschueren, K.H.G, Verstraete, K.
Deposit date:2020-05-15
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
7PQO
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BU of 7pqo by Molmil
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
Descriptor: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
Authors:Harmat, V, Fodor, K, Heja, D.
Deposit date:2021-09-17
Release date:2022-05-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
7PQN
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BU of 7pqn by Molmil
Catalytic fragment of MASP-2 in complex with ecotin
Descriptor: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ...
Authors:Harmat, V, Fodor, K, Heja, D.
Deposit date:2021-09-17
Release date:2022-05-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.400015 Å)
Cite:Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
8AR9
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BU of 8ar9 by Molmil
Crystal to structure pipeline for ambient temperature, in situ crystallography at beamline VMXi
Descriptor: Nuclear receptor coactivator 7
Authors:Campeotto, I, Foster, T.
Deposit date:2022-08-15
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
Descriptor: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
Authors:Guttler, T, Aksu, M, Gorlich, D.
Deposit date:2023-08-16
Release date:2023-12-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
Descriptor: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
Authors:Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
Deposit date:2021-08-24
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
5MJL
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BU of 5mjl by Molmil
Single-shot pink beam serial crystallography: Proteinase K
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-11-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.21013784 Å)
Cite:Pink-beam serial crystallography.
Nat Commun, 8, 2017
6GY1
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BU of 6gy1 by Molmil
rat COMT in complex with inhibitor
Descriptor: 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol, Catechol O-methyltransferase, DIMETHYL SULFOXIDE, ...
Authors:Schulze, M.-S.
Deposit date:2018-06-27
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of 8-Hydroxyquinolines as Inhibitors of Catechol O-Methyltransferase.
J. Med. Chem., 61, 2018
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020

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数据于2025-03-12公开中

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