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2GHI
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BU of 2ghi by Molmil
Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2
Descriptor: SULFATE ION, transport protein
Authors:Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2006-03-27
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4ZRD
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BU of 4zrd by Molmil
Crystal structure of SMG1 F278N mutant
Descriptor: GLYCEROL, LIP1, secretory lipase (Family 3), ...
Authors:Xu, J, Xu, H, Hou, S, Liu, J.
Deposit date:2015-05-12
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of product-bound SMG1 lipase: active site gating implications.
Febs J., 282, 2015
4ZRE
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BU of 4zre by Molmil
Crystal structure of SMG1 F278D mutant
Descriptor: CHLORIDE ION, LIP1, secretory lipase (Family 3), ...
Authors:Xu, J, Xu, H, Hou, S, Liu, J.
Deposit date:2015-05-12
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of product-bound SMG1 lipase: active site gating implications.
Febs J., 282, 2015
4Y76
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BU of 4y76 by Molmil
Factor Xa complex with GTC000401
Descriptor: CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y79
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BU of 4y79 by Molmil
Factor Xa complex with GTC000406
Descriptor: (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ...
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
7QPI
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BU of 7qpi by Molmil
Structure of lamprey VDR in complex with 1,25D3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, MAGNESIUM ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2022-01-04
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
7QPP
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BU of 7qpp by Molmil
High resolution structure of human VDR ligand binding domain in complex with calcitriol
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SULFATE ION, Vitamin D3 receptor
Authors:Rochel, N.
Deposit date:2022-01-05
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
7XRE
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BU of 7xre by Molmil
Crystal structure of DgpA
Descriptor: DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Ma, W, He, P.
Deposit date:2022-05-10
Release date:2023-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
7XRF
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BU of 7xrf by Molmil
Crystal structaure of DgpB/C complex
Descriptor: AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION
Authors:Ma, M, He, P.
Deposit date:2022-05-10
Release date:2023-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
7XR9
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BU of 7xr9 by Molmil
Crystal structure of DgpA with glucose
Descriptor: DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, beta-D-glucopyranose
Authors:Ma, W, He, P.
Deposit date:2022-05-09
Release date:2023-04-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
4Y7B
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BU of 4y7b by Molmil
Factor Xa complex with GTC000441
Descriptor: 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Factor Xa complex with GTC000441
to be published
4Y71
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BU of 4y71 by Molmil
Factor Xa complex with GTC000398
Descriptor: 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, CALCIUM ION, Coagulation factor X
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Factor Xa complex with GTC000398
To be Published
4Y7A
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BU of 4y7a by Molmil
Factor Xa complex with GTC000422
Descriptor: CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ...
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Factor Xa complex with GTC000422
to be published
5CH8
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BU of 5ch8 by Molmil
Crystal structure of MDLA N225Q mutant form Penicillium cyclopium
Descriptor: CHLORIDE ION, GLYCEROL, Mono- and diacylglycerol lipase, ...
Authors:Xu, J, Xu, H, Hou, S, Liu, J.
Deposit date:2015-07-10
Release date:2016-04-20
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Lipase-Driven Epoxidation Is A Two-Stage Synergistic Process
ChemistrySelect, 4, 2016
6D5F
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BU of 6d5f by Molmil
Cryo-EM reconstruction of membrane-enveloped filamentous virus SFV1 (Sulfolobus filamentous virus 1)
Descriptor: DNA (336-MER), Fimbrial protein
Authors:Wang, F, Osinski, T, Liu, Y, Krupovic, M, Prangishvili, D, Egelman, E.H.
Deposit date:2018-04-19
Release date:2018-08-29
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural conservation in a membrane-enveloped filamentous virus infecting a hyperthermophilic acidophile.
Nat Commun, 9, 2018
4UAP
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BU of 4uap by Molmil
X-ray structure of GH31 CBM32-2 bound to GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P.
Deposit date:2014-08-11
Release date:2015-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
8DVG
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BU of 8dvg by Molmil
Structure of KRAS WT(7-16)-HLA-A*03:01
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
Authors:Wright, K.M, Miller, M, Gabelli, S.B.
Deposit date:2022-07-28
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
6F48
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BU of 6f48 by Molmil
Structure of quinolinate synthase with reaction intermediates X and Y
Descriptor: 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6F4L
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BU of 6f4l by Molmil
Structure of quinolinate synthase with inhibitor-derived quinolinate
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6F4D
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BU of 6f4d by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with PGH
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, PHOSPHATE ION, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6G74
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BU of 6g74 by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with phthalate
Descriptor: IRON/SULFUR CLUSTER, PHTHALIC ACID, Quinolinate synthase A
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-04
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
2GAK
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BU of 2gak by Molmil
X-ray crystal structure of murine leukocyte-type Core 2 b1,6-N-acetylglucosaminyltransferase (C2GnT-L)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-1,6-N-acetylglucosaminyltransferase
Authors:Pak, J.E, Rini, J.M.
Deposit date:2006-03-09
Release date:2006-07-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray Crystal Structure of Leukocyte Type Core 2 beta1,6-N-Acetylglucosaminyltransferase: Evidence for a covergence of metal ion independent glycosyltransferase mechanism.
J.Biol.Chem., 281, 2006
2GAM
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BU of 2gam by Molmil
X-ray crystal structure of murine leukocyte-type Core 2 b1,6-N-acetylglucosaminyltransferase (C2GnT-L) in complex with Galb1,3GalNAc
Descriptor: beta-1,6-N-acetylglucosaminyltransferase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Pak, J.E, Rini, J.M.
Deposit date:2006-03-09
Release date:2006-07-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray Crystal Structure of Leukocyte Type Core 2 beta1,6-N-Acetylglucosaminyltransferase: Evidence for a covergence of metal ion independent glycosyltransferase mechanism.
J.Biol.Chem., 281, 2006
6L6Z
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BU of 6l6z by Molmil
Cryo-EM structure of the Drosophila CTP synthase substrate-bound filament
Descriptor: CTP synthase
Authors:Ji-Long, L, Xian, Z, Chen-Jun, G.
Deposit date:2019-10-30
Release date:2020-03-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (6.09 Å)
Cite:Drosophila CTP synthase can form distinct substrate- and product-bound filaments.
J Genet Genomics, 46, 2019
8FAZ
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BU of 8faz by Molmil
Cryo-EM structure of the human BCDX2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ...
Authors:Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K.
Deposit date:2022-11-29
Release date:2023-06-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023

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数据于2024-07-10公开中

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