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6LEI
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BU of 6lei by Molmil
Structure of D-carbamoylase from Nitratireductor indicus
Descriptor: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
Authors:Ni, Y, Liu, Y.F, Xu, G.C.
Deposit date:2019-11-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6LE2
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BU of 6le2 by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase
Authors:Ni, Y, Liu, Y.F, Xu, G.C, Dai, W.
Deposit date:2019-11-23
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6LED
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BU of 6led by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
Descriptor: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
Authors:Ni, Y, Liu, Y.F, Xu, G.C.
Deposit date:2019-11-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
5HSI
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BU of 5hsi by Molmil
Crystal structure of tyrosine decarboxylase at 1.73 Angstroms resolution
Descriptor: MAGNESIUM ION, Putative decarboxylase
Authors:Ni, Y, Zhou, J, Zhu, H, Zhang, K.
Deposit date:2016-01-25
Release date:2016-09-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
5HSJ
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BU of 5hsj by Molmil
Structure of tyrosine decarboxylase complex with PLP at 1.9 Angstroms resolution
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative decarboxylase
Authors:Ni, Y, Zhou, J, Zhu, H, Zhang, K.
Deposit date:2016-01-25
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
7C1E
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BU of 7c1e by Molmil
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Y127W)
Descriptor: Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wu, Y.F, Zhou, J.Y, Liu, Y.F, Xu, G.C, Ni, Y.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineering an Alcohol Dehydrogenase from Kluyveromyces polyspora for Efficient Synthesis of Ibrutinib Intermediate
Adv.Synth.Catal., 2021
6LCG
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BU of 6lcg by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
Descriptor: DI(HYDROXYETHYL)ETHER, N-carbamoyl-D-amino-acid hydrolase
Authors:Liu, Y.F, Ni, Y, Xu, G.C, Dai, W.
Deposit date:2019-11-18
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
7C3V
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BU of 7c3v by Molmil
Structure of a thermostable Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
Descriptor: Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dai, W, Ni, Y, Xu, G, Liu, Y, Wang, Y, Zhou, J.
Deposit date:2020-05-14
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20042944 Å)
Cite:Structure of a thermostable Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
To Be Published
5ZED
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BU of 5zed by Molmil
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH
Authors:Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y.
Deposit date:2018-02-27
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
5Z2X
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BU of 5z2x by Molmil
Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
Descriptor: 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y.
Deposit date:2018-01-04
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
5ZEC
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BU of 5zec by Molmil
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ...
Authors:Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y.
Deposit date:2018-02-27
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
8I99
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BU of 8i99 by Molmil
N-carbamoyl-D-amino-acid hydrolase mutant - M4Th3
Descriptor: N-carbamoyl-D-amino-acid hydrolase
Authors:Hu, J.M, Ni, Y, Xu, G.C.
Deposit date:2023-02-06
Release date:2023-03-22
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Engineering the Thermostability of a d-Carbamoylase Based on Ancestral Sequence Reconstruction for the Efficient Synthesis of d-Tryptophan.
J.Agric.Food Chem., 71, 2023
3SNL
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BU of 3snl by Molmil
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
Descriptor: 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J.
Deposit date:2011-06-29
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
3SNI
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BU of 3sni by Molmil
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
Descriptor: 2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J.
Deposit date:2011-06-29
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
7XPM
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BU of 7xpm by Molmil
Ancestral ADH WT
Descriptor: 1,2-ETHANEDIOL, A64
Authors:Chen, X.Y, Xu, G.C, Ni, Y.
Deposit date:2022-05-04
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a versatile ancestral ADH with high activity and thermostability
To Be Published
7YMU
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BU of 7ymu by Molmil
Structure of Alcohol dehydrogenase from [Candida] glabrata
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Sun, Z.W, Liu, Y.F, Xu, G.C, Ni, Y.
Deposit date:2022-07-29
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rationla design of CgADH from candida glarata for asymmetric reduction of azacycolne.
To Be Published
7YMB
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BU of 7ymb by Molmil
Structure of Alcohol dehydrogenase from Candida glabrata(CgADH)complexed with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent methylglyoxal reductase GRE2
Authors:Sun, Z.W, Liu, Y.F, Xu, G.C, Ni, Y.
Deposit date:2022-07-28
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:rational desigen of CgADH from Candida glabrata for stereocomplementary reduction of azacyclone.
To Be Published
7YII
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BU of 7yii by Molmil
Carboxylesterase - RoCE
Descriptor: Non-heme haloperoxidase
Authors:Dou, Z, Jia, P, Ni, Y, Xu, G.C.
Deposit date:2022-07-16
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Carboxylesterase - RoCE
To Be Published
1EQ2
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BU of 1eq2 by Molmil
THE CRYSTAL STRUCTURE OF ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, ADP-L-GLYCERO-D-MANNOHEPTOSE 6-EPIMERASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Deacon, A.M, Ni, Y.S, Coleman Jr, W.G, Ealick, S.E.
Deposit date:2000-03-31
Release date:2000-11-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of ADP-L-glycero-D-mannoheptose 6-epimerase: catalysis with a twist.
Structure Fold.Des., 8, 2000
6V97
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BU of 6v97 by Molmil
Kindlin-3 double deletion mutant short form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
6V9G
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BU of 6v9g by Molmil
Kindlin-3 double deletion mutant long form
Descriptor: Fermitin family homolog 3
Authors:Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q.
Deposit date:2019-12-13
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets.
Blood Adv, 4, 2020
3P5B
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BU of 3p5b by Molmil
The structure of the LDLR/PCSK9 complex reveals the receptor in an extended conformation
Descriptor: CALCIUM ION, Low density lipoprotein receptor variant, Proprotein convertase subtilisin/kexin type 9
Authors:Lo Surdo, P, Bottomley, M.J, Calzetta, A, Settembre, E.C, Cirillo, A, Pandit, S, Ni, Y, Hubbard, B, Sitlani, A, Carfi, A.
Deposit date:2010-10-08
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mechanistic implications for LDL receptor degradation from the PCSK9/LDLR structure at neutral pH.
Embo Rep., 12, 2011
3P5C
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BU of 3p5c by Molmil
The structure of the LDLR/PCSK9 complex reveals the receptor in an extended conformation
Descriptor: CALCIUM ION, Low density lipoprotein receptor variant, Proprotein convertase subtilisin/kexin type 9
Authors:Lo Surdo, P, Bottomley, M.J, Calzetta, A, Settembre, E.C, Cirillo, A, Pandit, S, Ni, Y, Hubbard, B, Sitlani, A, Carfi, A.
Deposit date:2010-10-08
Release date:2011-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Mechanistic implications for LDL receptor degradation from the PCSK9/LDLR structure at neutral pH.
Embo Rep., 12, 2011
4FCB
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BU of 4fcb by Molmil
Potent and Selective Phosphodiesterase 10A Inhibitors
Descriptor: 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ...
Authors:Parris, K.D.
Deposit date:2012-05-24
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4FCD
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BU of 4fcd by Molmil
Potent and Selective Phosphodiesterase 10A Inhibitors
Descriptor: 1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine, MAGNESIUM ION, ZINC ION, ...
Authors:Parris, K.D.
Deposit date:2012-05-24
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Novel triazines as potent and selective phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012

 

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