Author results

2P57
  • Download 2p57
  • View 2p57
Molmil generated image of 2p57
GAP DOMAIN OF ZNF289, AN ID1-REGULATED ZINC FINGER PROTEIN
Descriptor:GTPase-activating protein ZNF289, ZINC ION, UNKNOWN ATOM OR ION
Authors:Tong, Y., Dimov, S., Shen, L., Zhu, H., Tempel, W., Landry, R., Arrowsmith, C.H., Edwards, A.M., Sundstrom, M., Weigelt, J., Bochkarev, A., Park, H., Structural Genomics Consortium (SGC)
Deposit date:2007-03-14
Release date:2007-03-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:GAP domain of ZNF289, an ID1-regulated zinc finger protein
To be Published
3V1S
  • Download 3v1s
  • View 3v1s
Molmil generated image of 3v1s
SCAFFOLD TAILORING BY A NEWLY DETECTED PICTET-SPENGLERASE AC-TIVITY OF STRICTOSIDINE SYNTHASE (STR1): FROM THE COMMON TRYP-TOLINE SKELETON TO THE RARE PIPERAZINO-INDOLE FRAMEWORK
Descriptor:Strictosidine synthase, 2-(1H-indol-1-yl)ethanamine
Authors:Wu, F., Zhu, H., Sun, L., Rajendran, C., Wang, M., Ren, X., Panjikar, S., Cherkasov, A., Zou, H., Stoeckigt, J.
Deposit date:2011-12-10
Release date:2012-02-29
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Scaffold Tailoring by a Newly Detected Pictet-Spenglerase Activity of Strictosidine Synthase: From the Common Tryptoline Skeleton to the Rare Piperazino-indole Framework
J.Am.Chem.Soc., 134, 2012
6NJE
  • Download 6nje
  • View 6nje
Molmil generated image of 6nje
CRYSTAL STRUCTURE OF THE MOTOR DOMAIN OF HUMAN KINESIN FAMILY MEMBER 22
Descriptor:Kinesin-like protein KIF22, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Walker, B.C., Zhu, H., Tempel, W., Arrowsmith, C.H., Edwards, A.M., Park, H., Cochran, J.C., Structural Genomics Consortium (SGC)
Deposit date:2019-01-03
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the motor domain of human kinesin family member 22
To Be Published
5U69
  • Download 5u69
  • View 5u69
Molmil generated image of 5u69
POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: (3R,4S)-1-[(2-METHOXYPHENYL)METHYL]-N,N-DIMETHYL-4-(1-METHYLINDOL-3-YL)PYRROLIDIN-3-AMINE
Descriptor:Polycomb protein EED, (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U6D
  • Download 5u6d
  • View 5u6d
Molmil generated image of 5u6d
POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: 2-[4-(4-{(3S,4R)-4-(DIMETHYLAMINO)-1-[(2-FLUORO-6-METHYLPHENYL)METHYL]PYRROLIDIN-3-YL}PHENYL)-1H-PYRAZOL-1-YL]ACETAMIDE
Descriptor:Polycomb protein EED, 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-07
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U8A
  • Download 5u8a
  • View 5u8a
Molmil generated image of 5u8a
POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: (3R,4S)-1-[(2-BROMO-6-FLUOROPHENYL)METHYL]-N,N-DIMETHYL-4-(1-METHYL-1H-INDOL-3-YL)PYRROLIDIN-3-AMINE
Descriptor:Polycomb protein EED, (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U8F
  • Download 5u8f
  • View 5u8f
Molmil generated image of 5u8f
POLYCOMB PROTEIN EED IN COMPLEX WITH INHIBITOR: (3R,4S)-1-[(1S)-7-FLUORO-2,3-DIHYDRO-1H-INDEN-1-YL]-N,N-DIMETHYL-4-(1-METHYL-1H-INDOL-3-YL)PYRROLIDIN-3-AMINE
Descriptor:Polycomb protein EED, (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Authors:Jakob, C.G., Zhu, H.
Deposit date:2016-12-14
Release date:2017-03-15
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
1CEH
  • Download 1ceh
  • View 1ceh
Molmil generated image of 1ceh
STRUCTURE AND FUNCTION OF THE CATALYTIC SITE MUTANT ASP99ASN OF PHOSPHOLIPASE A2: ABSENCE OF CONSERVED STRUCTURAL WATER
Descriptor:PHOSPHOLIPASE A2, CALCIUM ION
Authors:Kumar, A., Sekharudu, C., Ramakrishnan, B., Dupureur, C.M., Zhu, H., Tsai, M.-D., Sundaralingam, M.
Deposit date:1994-11-16
Release date:1995-02-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of the catalytic site mutant Asp 99 Asn of phospholipase A2: absence of the conserved structural water.
Protein Sci., 3, 1994
1EJ8
  • Download 1ej8
  • View 1ej8
Molmil generated image of 1ej8
CRYSTAL STRUCTURE OF DOMAIN 2 OF THE YEAST COPPER CHAPERONE FOR SUPEROXIDE DISMUTASE (LYS7) AT 1.55 A RESOLUTION
Descriptor:LYS7, CALCIUM ION
Authors:Hall, L.T., Sanchez, R.J., Holloway, S.P., Zhu, H., Stine, J.E., Lyons, T.J., Demeler, B., Schirf, V., Hansen, J.C., Nersissian, A.M., Valentine, J.S., Hart, P.J.
Deposit date:2000-03-01
Release date:2000-04-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray crystallographic and analytical ultracentrifugation analyses of truncated and full-length yeast copper chaperones for SOD (LYS7): a dimer-dimer model of LYS7-SOD association and copper delivery.
Biochemistry, 39, 2000
2R13
  • Download 2r13
  • View 2r13
Molmil generated image of 2r13
CRYSTAL STRUCTURE OF HUMAN MITONEET REVEALS A NOVEL [2FE-2S] CLUSTER COORDINATION
Descriptor:Zinc finger CDGSH domain-containing protein 1, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER
Authors:Hou, X., Liu, R., Ross, S., Smart, E.J., Zhu, H., Gong, W.
Deposit date:2007-08-22
Release date:2007-09-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic studies of human MitoNEET
J.Biol.Chem., 282, 2007
3CEY
  • Download 3cey
  • View 3cey
Molmil generated image of 3cey
CRYSTAL STRUCTURE OF L3MBTL2
Descriptor:Lethal(3)malignant brain tumor-like 2 protein
Authors:Nady, N., Guo, Y., Pan, P., Allali-Hassani, A., Qi, C., Zhu, H., Dong, A., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Edwards, A.M., Weigelt, J., Bountra, C., Arrowsmith, C.H., Bochkarev, A., Read, R., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3ECQ
  • Download 3ecq
  • View 3ecq
Molmil generated image of 3ecq
ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE FROM STREPTOCOCCUS PNEUMONIAE: SEMET STRUCTURE
Descriptor:Endo-alpha-N-acetylgalactosaminidase, CALCIUM ION, SODIUM ION, ...
Authors:Caines, M.E.C., Zhu, H., Vuckovic, M., Strynadka, N.C.J.
Deposit date:2008-09-01
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structural basis for T-antigen hydrolysis by Streptococcus pneumoniae: a target for structure-based vaccine design.
J.Biol.Chem., 283, 2008
3F70
  • Download 3f70
  • View 3f70
Molmil generated image of 3f70
CRYSTAL STRUCTURE OF L3MBTL2-H4K20ME1 COMPLEX
Descriptor:Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
Authors:Guo, Y., Qi, C., Allali-Hassani, A., Pan, P., Zhu, H., Dong, A., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Edwards, A.M., Weigelt, J., Bountra, C., Arrowsmith, C.H., Botchkarev, A., Read, R., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2008-11-07
Release date:2009-01-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3LF5
  • Download 3lf5
  • View 3lf5
Molmil generated image of 3lf5
STRUCTURE OF HUMAN NADH CYTOCHROME B5 OXIDOREDUCTASE (NCB5OR) B5 DOMAIN TO 1.25A RESOLUTION
Descriptor:Cytochrome b5 reductase 4, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Deng, B., Parthasarathy, S., Wang, W., Gibney, B.R., Battaile, K.P., Lovell, S., Benson, D.R., Zhu, H.
Deposit date:2010-01-15
Release date:2010-07-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Study of the individual cytochrome b5 and cytochrome b5 reductase domains of Ncb5or reveals a unique heme pocket and a possible role of the CS domain.
J.Biol.Chem., 285, 2010
3P4H
  • Download 3p4h
  • View 3p4h
Molmil generated image of 3p4h
STRUCTURES OF ARCHAEAL MEMBERS OF THE LIGD 3'-PHOSPHOESTERASE DNA REPAIR ENZYME SUPERFAMILY
Descriptor:ATP-dependent DNA ligase, N-terminal domain protein, MANGANESE (II) ION, ...
Authors:Smith, P., Nair, P.A., Das, U., Zhu, H., Shuman, S.
Deposit date:2010-10-06
Release date:2011-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structures and activities of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily.
Nucleic Acids Res., 39, 2011
4IQ6
  • Download 4iq6
  • View 4iq6
Molmil generated image of 4iq6
GSK-3BETA WITH INHIBITOR 6-CHLORO-N-CYCLOHEXYL-4-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PYRIDIN-2-AMINE
Descriptor:Glycogen synthase kinase-3 beta, 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
Authors:Tong, Y., Stewart, K.D., Florjancic, A.S., Harlan, J.E., Merta, P.J., Przytulinska, M., Soni, N., Swinger, K.S., Zhu, H., Johnson, E.F., Shoemaker, A.R., Penning, T.D.
Deposit date:2013-01-10
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
5DTH
  • Download 5dth
  • View 5dth
Molmil generated image of 5dth
CRYSTAL STRUCTURE OF MUPP1 PDZ8 DOMAIN FROM RATTUS NORVEGICUS
Descriptor:Multiple PDZ domain protein
Authors:Li, J., Lv, Y., Zhu, H., Liu, W.
Deposit date:2015-09-18
Release date:2016-09-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure and biochemical characteristics of MUPP1 PDZ8 domain from rattus norregicus
To Be Published
5K0M
  • Download 5k0m
  • View 5k0m
Molmil generated image of 5k0m
TARGETING THE PRC2 COMPLEX THROUGH A NOVEL PROTEIN-PROTEIN INTERACTION INHIBITOR OF EED
Descriptor:Polycomb protein EED, (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine
Authors:Jakob, C.G., Bigelow, L.J., Zhu, H., Sun, C.
Deposit date:2016-05-17
Release date:2017-01-25
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
6DW0
  • Download 6dw0
  • View 6dw0
Molmil generated image of 6dw0
CRYO-EM STRUCTURE OF THE BENZODIAZEPINE-SENSITIVE ALPHA1BETA1GAMMA2S TRI-HETEROMERIC GABAA RECEPTOR IN COMPLEX WITH GABA (WHOLE MAP)
Descriptor:Gamma-aminobutyric acid receptor subunit gamma-2, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-1,Gamma-aminobutyric acid receptor subunit beta-1, ...
Authors:Phulera, S., Zhu, H., Yu, J., Yoshioka, C., Gouaux, E.
Deposit date:2018-06-26
Release date:2018-08-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the benzodiazepine-sensitive alpha 1 beta 1 gamma 2S tri-heteromeric GABAAreceptor in complex with GABA.
Elife, 7, 2018
6DW1
  • Download 6dw1
  • View 6dw1
Molmil generated image of 6dw1
CRYO-EM STRUCTURE OF THE BENZODIAZEPINE-SENSITIVE ALPHA1BETA1GAMMA2S TRI-HETEROMERIC GABAA RECEPTOR IN COMPLEX WITH GABA (ECD MAP)
Descriptor:Gamma-aminobutyric acid receptor subunit gamma-2, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-1,Gamma-aminobutyric acid receptor subunit beta-1, ...
Authors:Phulera, S., Zhu, H., Yu, J., Yoshioka, C., Gouaux, E.
Deposit date:2018-06-26
Release date:2018-08-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the benzodiazepine-sensitive alpha 1 beta 1 gamma 2S tri-heteromeric GABAAreceptor in complex with GABA.
Elife, 7, 2018
6FES
  • Download 6fes
  • View 6fes
Molmil generated image of 6fes
CRYSTAL STRUCTURE OF NOVEL REPEAT PROTEIN BRIC2 FUSED TO DARPIN D12
Descriptor:D12_BRIC2, a synthetic protein,D12_BRIC2, a synthetic protein, ...
Authors:ElGamacy, M., Coles, M., Ernst, P., Zhu, H., Hartmann, M.D., Plueckthun, A., Lupas, A.
Deposit date:2018-01-03
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture.
ACS Synth Biol, 7, 2018
6FF6
  • Download 6ff6
  • View 6ff6
Molmil generated image of 6ff6
CRYSTAL STRUCTURE OF NOVEL REPEAT PROTEIN BRIC1
Descriptor:BRIC1
Authors:ElGamacy, M., Coles, M., Ernst, P., Zhu, H., Hartmann, M.D., Plueckthun, A., Lupas, A.N.
Deposit date:2018-01-03
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture.
ACS Synth Biol, 7, 2018
6MV1
  • Download 6mv1
  • View 6mv1
Molmil generated image of 6mv1
2.15A RESOLUTION STRUCTURE OF THE CS-B5R DOMAINS OF HUMAN NCB5OR (NAD+ FORM)
Descriptor:Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Benson, D.R., Cooper, A., Gao, P., Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6MV2
  • Download 6mv2
  • View 6mv2
Molmil generated image of 6mv2
2.05A RESOLUTION STRUCTURE OF THE CS-B5R DOMAINS OF HUMAN NCB5OR (NADP+ FORM)
Descriptor:Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Benson, D.R., Cooper, A., Gao, P., Zhu, H.
Deposit date:2018-10-24
Release date:2019-07-17
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6QF8
  • Download 6qf8
  • View 6qf8
Molmil generated image of 6qf8
SOLUTION NMR ENSEMBLE FOR HUMAN UBIQUITIN AT 298K COMPILED USING THE COMAND METHOD
Descriptor:Polyubiquitin-B
Authors:ElGamacy, M., Truffault, V., Zhu, H., Coles, M.
Deposit date:2019-01-09
Release date:2019-04-10
Last modified:2019-05-15
Method:SOLUTION NMR
Cite:Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019