Author results

2L8S
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SOLUTION NMR STRUCTURE OF TRANSMEMBRANE AND CYTOSOLIC REGIONS OF INTEGRIN ALPHA1 IN DETERGENT MICELLES
Descriptor:Integrin alpha-1
Authors:Lai, C., Liu, X., Tian, C.
Deposit date:2011-01-24
Release date:2012-02-01
Last modified:2013-05-15
Method:SOLUTION NMR
Cite:Integrin Alpha1 Has a Long Helix, Extending from the Transmembrane Region to the Cytoplasmic Tail in Detergent Micelles
Plos One, 8, 2013
2M0Q
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SOLUTION NMR ANALYSIS OF INTACT KCNE2 IN DETERGENT MICELLES DEMONSTRATE A STRAIGHT TRANSMEMBRANE HELIX
Descriptor:Potassium voltage-gated channel subfamily E member 2
Authors:Lai, C., Li, P., Chen, L., Zhang, L., Wu, F., Tian, C.
Deposit date:2012-11-01
Release date:2014-04-30
Method:SOLUTION NMR
Cite:Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix
To be Published
2LQ9
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SOLUTION STRUCTURE OF THE K60A MUTANT OF ATOX1
Descriptor:Copper transport protein ATOX1
Authors:Xi, Z., Shi, C., Lai, C., Tian, C., Liu, Y.
Deposit date:2012-02-28
Release date:2013-03-27
Method:SOLUTION NMR
Cite:Solution structure of the K60A mutant of Atox1
To be Published
2OAG
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV (DPPIV) WITH PYRROLIDINE-CONSTRAINED PHENETHYLAMINE 29G
Descriptor:Dipeptidyl peptidase 4, (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE
Authors:Backes, B.J., Longenecker, K.L., Hamilton, G.L., Stewart, K.D., Lai, C., Kopecka, H.
Deposit date:2006-12-15
Release date:2007-09-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
1WBX
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CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 DB AND KB MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE
Descriptor:H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, BETA-2MICROGLOBULIN, ...
Authors:Meijers, R., Lai, C., Yang, Y., Liu, J., Zhong, W., Wang, J., Reinherz, E.L.
Deposit date:2004-11-05
Release date:2005-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance
J.Mol.Biol., 345, 2005
1WBY
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CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 DB AND KB MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE
Descriptor:H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, BETA-2MICROGLOBULIN, ...
Authors:Meijers, R., Lai, C., Yang, Y., Liu, J., Zhong, W., Wang, J., Reinherz, E.L.
Deposit date:2004-11-05
Release date:2005-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance
J.Mol.Biol., 345, 2005
1WBZ
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CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 DB AND KB MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE
Descriptor:H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN PRECURSOR, BETA-2MICROGLOBULIN, ...
Authors:Meijers, R., Lai, C., Yang, Y., Liu, J., Zhong, W., Wang, J., Reinherz, E.L.
Deposit date:2004-11-05
Release date:2005-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance
J.Mol.Biol., 345, 2005
2I3Z
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RAT DPP-IV WITH XANTHINE MIMETIC INHIBITOR #7
Descriptor:Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV), 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM
Authors:Kurukulasuriya, R., Rohde, J.J., Szczepankiewicz, B.G., Basha, F., Lai, C., Winn, M., Stewart, K.D., Longenecker, K.L., Lubben, T.W., Ballaron, S.J., Sham, H.L., VonGeldern, T.W.
Deposit date:2006-08-21
Release date:2006-12-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2OQI
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HUMAN DIPEPTIDYL PEPTIDASE IV (DPP4) WITH PIPERIDINONE-CONSTRAINED PHENETHYLAMINE
Descriptor:Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP), (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE
Authors:Pei, Z., Li, X., von Geldern, T.W., Longenecker, K.L., Pireh, D., Stewart, K.D., Backes, B.J., Lai, C., Lubben, T.H., Ballaron, S.J., Beno, D.W., Kempf-Grote, A.J., Sham, H.L., Trevillyan, J.M.
Deposit date:2007-01-31
Release date:2007-04-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2FIE
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STRUCTURE OF HUMAN LIVER FBPASE COMPLEXED WITH POTENT BENZOXAZOLE ALLOSTERIC INHIBITORS
Descriptor:Fructose-1,6-bisphosphatase 1, 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-29
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FIX
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STRUCTURE OF HUMAN LIVER FBPASE COMPLEXED WITH POTENT BENZOXAZOLE ALLOSTERIC INHIBITIORS
Descriptor:Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
4BKQ
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ENOYL-ACP REDUCTASE FROM YERSINIA PESTIS (WILDTYPE)WITH COFACTOR NADH
Descriptor:PUTATIVE REDUCTASE YPZ3_3519, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Authors:Hirschbeck, M.W., Neckles, C., Tonge, P.J., Kisker, C.
Deposit date:2013-04-29
Release date:2014-05-14
Last modified:2016-06-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
4BKR
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ENOYL-ACP REDUCTASE FROM YERSINIA PESTIS (WILDTYPE, REMOVED HISTAG) WITH COFACTOR NADH
Descriptor:PUTATIVE REDUCTASE YPZ3_3519, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Hirschbeck, M.W., Neckles, C., Tonge, P.J., Kisker, C.
Deposit date:2013-04-29
Release date:2014-05-14
Last modified:2016-06-15
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
5G2O
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YERSINIA PESTIS FABV VARIANT T276A
Descriptor:ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE
Authors:Pschibul, A., Kuper, J., HIrschbeck, M., Kisker, C.
Deposit date:2016-04-11
Release date:2016-05-25
Last modified:2016-06-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
5JAI
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YERSINIA PESTIS FABV VARIANT T276G
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, ...
Authors:Pschibul, A., Kuper, J., HIrschbeck, M., Kisker, C.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
5JAM
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YERSINIA PESTIS FABV VARIANT T276V
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE
Authors:Pschibul, A., Kuper, J., HIrschbeck, M., Kisker, C.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
5JAQ
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YERSINIA PESTIS FABV VARIANT T276C
Descriptor:Enoyl-[acyl-carrier-protein] reductase [NADH], 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE
Authors:Pschibul, A., Kuper, J., HIrschbeck, M., Kisker, C.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
2FHY
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STRUCTURE OF HUMAN LIVER FPBASE COMPLEXED WITH A NOVEL BENZOXAZOLE AS ALLOSTERIC INHIBITOR
Descriptor:Fructose-1,6-bisphosphatase 1, MAGNESIUM ION, 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
2M0M
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STRUCTURAL CHARACTERIZATION OF MINOR AMPULLATE SPIDROIN DOMAINS AND THEIR DISTINCT ROLES IN FIBROIN SOLUBILITY AND FIBER FORMATION
Descriptor:Minor ampullate fibroin 1
Authors:Yang, D., Gao, Z., Lin, Z., Huang, W., Lai, C., Fan, J.
Deposit date:2012-10-30
Release date:2013-03-27
Method:SOLUTION NMR
Cite:Structural characterization of minor ampullate spidroin domains and their distinct roles in fibroin solubility and fiber formation
Plos One, 8, 2013
2L26
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RV0899 FROM MYCOBACTERIUM TUBERCULOSIS CONTAINS TWO SEPARATED DOMAINS
Descriptor:Uncharacterized protein Rv0899/MT0922
Authors:Shi, C., Li, J., Gao, Y., Wu, K., Huang, H., Tian, C.
Deposit date:2010-08-12
Release date:2011-08-17
Last modified:2011-12-07
Method:SOLUTION NMR
Cite:Structural Studies of Mycobacterium tuberculosis Rv0899 Reveal a Monomeric Membrane-Anchoring Protein with Two Separate Domains
J.Mol.Biol., 2011
4RDR
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STRUCTURE OF THE BACTERIAL ZN-TRANSPORTER ZNUD FROM NEISSERIA MENINGITIDIS (LOCKED CONFORMATION BOUND TO ZINC AND CADMIUM IONS)
Descriptor:ZnuD, CADMIUM ION, ZINC ION, ...
Authors:Calmettes, C., Moraes, T.F.
Deposit date:2014-09-19
Release date:2015-08-19
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.472 Å)
Cite:The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
4RDT
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STRUCTURE OF THE BACTERIAL ZN-TRANSPORTER ZNUD FROM NEISSERIA MENINGITIDIS (FLEXIBLE CONFORMATION BOUND TO A ZINC ION)
Descriptor:ZnuD, ZINC ION, GLYCEROL, ...
Authors:Calmettes, C., El Bakkouri, M., Moraes, T.F.
Deposit date:2014-09-19
Release date:2015-08-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
4RVW
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STRUCTURE OF THE BACTERIAL ZN-TRANSPORTER ZNUD FROM NEISSERIA MENINGITIDIS (SOAKED WITH 20 MICROMOLAR ZINC)
Descriptor:ZnuD, ZINC ION, SULFATE ION
Authors:Calmettes, C., Moraes, T.F.
Deposit date:2014-11-28
Release date:2015-08-19
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (4.477 Å)
Cite:The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD.
Nat Commun, 6, 2015
2LW3
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SOLUTION STRUCTURE OF THE SOLUBLE DOMAIN OF MMPS4 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Putative membrane protein mmpS4
Authors:Xi, Z., Sun, P., Wang, W., Lai, C., Wu, F., Tian, C.
Deposit date:2012-07-19
Release date:2013-03-13
Method:SOLUTION NMR
Cite:Discovery of a Siderophore Export System Essential for Virulence of Mycobacterium tuberculosis
Plos Pathog., 9, 2013
3E8N
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X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) COMPLEXED WITH A POTENT INHIBITOR RDEA119 AND MGATP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yan, S., Wang, Z.M.
Deposit date:2008-08-20
Release date:2009-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer.
Cancer Res., 69, 2009
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