Author results

1PWG
  • Download 1pwg
  • View 1pwg
Molmil generated image of 1pwg
COVALENT PENICILLOYL ACYL ENZYME COMPLEX OF THE STREPTOMYCES R61 DD-PEPTIDASE WITH A HIGHLY SPECIFIC PENICILLIN
Descriptor:D-alanyl-D-alanine carboxypeptidase, (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Authors:Silvaggi, N.R., Josephine, H.R., Pratt, R.F., Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.074 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PWC
  • Download 1pwc
  • View 1pwc
Molmil generated image of 1pwc
PENICILLOYL ACYL ENZYME COMPLEX OF THE STREPTOMYCES R61 DD-PEPTIDASE WITH PENICILLIN G
Descriptor:D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G
Authors:Silvaggi, N.R., Josephine, H.R., Pratt, R.F., Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1HVB
  • Download 1hvb
  • View 1hvb
Molmil generated image of 1hvb
CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Authors:McDonough, M.A., Lee, W., Silvaggi, N.R., Mobashery, S., Kelly, J.A.
Deposit date:2001-01-08
Release date:2001-02-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:A 1.2-A snapshot of the final step of bacterial cell wall biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
1PW1
  • Download 1pw1
  • View 1pw1
Molmil generated image of 1pw1
NON-COVALENT COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A HIGHLY SPECIFIC PENICILLIN
Descriptor:D-alanyl-D-alanine carboxypeptidase, (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, GLYCEROL, ...
Authors:Silvaggi, N.R., Josephine, H.R., Pratt, R.F., Kelly, J.A.
Deposit date:2003-06-30
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PWD
  • Download 1pwd
  • View 1pwd
Molmil generated image of 1pwd
COVALENT ACYL ENZYME COMPLEX OF THE STREPTOMYCES R61 DD-PEPTIDASE WITH CEPHALOSPORIN C
Descriptor:D-alanyl-D-alanine carboxypeptidase precursor, (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Authors:Silvaggi, N.R., Josephine, H.R., Pratt, R.F., Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1IKI
  • Download 1iki
  • View 1iki
Molmil generated image of 1iki
COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE, D-ALANINE
Authors:Mcdonough, M.A., Anderson, J.W., Silvaggi, N.R., Pratt, R.F., Knox, J.R., Kelly, J.A.
Deposit date:2001-05-03
Release date:2002-09-11
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
1PW8
  • Download 1pw8
  • View 1pw8
Molmil generated image of 1pw8
COVALENT ACYL ENZYME COMPLEX OF THE R61 DD-PEPTIDASE WITH A HIGHLY SPECIFIC CEPHALOSPORIN
Descriptor:D-alanyl-D-alanine carboxypeptidase, (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, GLYCEROL
Authors:Silvaggi, N.R., Josephine, H.R., Pratt, R.F., Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
5G28
  • Download 5g28
  • View 5g28
Molmil generated image of 5g28
THE CRYSTAL STRUCTURE OF LIGHT-DRIVEN CHLORIDE PUMP CLR AT PH 6.0.
Descriptor:CHLORIDE PUMPING RHODOPSIN, CHLORIDE ION, RETINAL, ...
Authors:Kim, K.L., Kwon, S.K., Jun, S.H., Cha, J.S., Kim, H.Y., Kim, J.H., Cho, H.S.
Deposit date:2016-04-07
Release date:2016-10-19
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5VFI
  • Download 5vfi
  • View 5vfi
Molmil generated image of 5vfi
BRUTON'S TYROSINE KINASE (BTK) WITH GDC-0853
Descriptor:Tyrosine-protein kinase BTK, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, 1,2-ETHANEDIOL, ...
Authors:Steinbacher, S., Eigenbrot, C.
Deposit date:2017-04-07
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.
J. Med. Chem., 61, 2018
2P3U
  • Download 2p3u
  • View 2p3u
Molmil generated image of 2p3u
CRYSTAL STRUCTURE OF HUMAN FACTOR XA COMPLEXED WITH 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE {PFIZER 320663}
Descriptor:Coagulation factor X, CALCIUM ION, 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE
Authors:Adler, M., Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

1YY6
  • Download 1yy6
  • View 1yy6
Molmil generated image of 1yy6
THE CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HAUSP/USP7 COMPLEXED WITH AN EBNA1 PEPTIDE
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, Epstein-Barr nuclear antigen-1, SODIUM ION
Authors:Saridakis, V., Sheng, Y., Sarkari, F., Holowaty, M., Shire, K., Nguyen, T., Zhang, R., Liao, J., Lee, W., Edwards, A.M., Arrowsmith, C.H., Frappier, L.
Deposit date:2005-02-23
Release date:2005-04-05
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the p53 binding domain of HAUSP/USP7 bound to Epstein-Barr nuclear antigen 1 implications for EBV-mediated immortalization.
Mol.Cell, 18, 2005
1O07
  • Download 1o07
  • View 1o07
Molmil generated image of 1o07
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN Q120L/Y150E MUTANT OF AMPC AND A BETA-LACTAM INHIBITOR (MXG)
Descriptor:Beta-lactamase, POTASSIUM ION, 2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
Authors:Meroueh, S.O., Minasov, G., Lee, W., Shoichet, B.K., Mobashery, S.
Deposit date:2003-02-20
Release date:2003-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural Aspects for Evolution of beta-Lactamases from Penicillin-Binding Proteins
J.Am.Chem.Soc., 125, 2003
5ZTK
  • Download 5ztk
  • View 5ztk
Molmil generated image of 5ztk
SYNCHROTRON STRUCTURE OF LIGHT-DRIVEN CHLORIDE PUMP HAVING AN NTQ MOTIF
Descriptor:Chloride pumping rhodopsin, CHLORIDE ION, RETINAL, ...
Authors:Yun, J.H., Park, J.H., Park, S.Y., Lee, W.
Deposit date:2018-05-04
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
4PQA
  • Download 4pqa
  • View 4pqa
Molmil generated image of 4pqa
CRYSTAL STRUCTURE OF SUCCINYL-DIAMINOPIMELATE DESUCCINYLASE FROM NEISSERIA MENINGITIDIS MC58 IN COMPLEX WITH THE INHIBITOR CAPTOPRIL
Descriptor:Succinyl-diaminopimelate desuccinylase, L-CAPTOPRIL, SULFATE ION, ...
Authors:Nocek, B., Starus, A., Holz, R., Anderson, W.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-03-01
Release date:2014-04-30
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril.
Biochemistry, 54, 2015
2PLN
  • Download 2pln
  • View 2pln
Molmil generated image of 2pln
CRYSTAL STRUCTURE ANALYSIS OF HP1043, AN ORPHAN RESONSE REGULATOR OF H. PYLORI
Descriptor:Response regulator
Authors:Lee, H.M., Kim, D.U., Byun, J.S., Cho, H.S.
Deposit date:2007-04-20
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure Analysis of Hp1043, an Orphan Resonse Regulator of H. Pylori
To be Published
3K9O
  • Download 3k9o
  • View 3k9o
Molmil generated image of 3k9o
THE CRYSTAL STRUCTURE OF E2-25K AND UBB+1 COMPLEX
Descriptor:Ubiquitin-conjugating enzyme E2 K, Ubiquitin
Authors:Kang, G.B., Ko, S., Song, S.M., Lee, W., Eom, S.H.
Deposit date:2009-10-16
Release date:2010-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of E2-25K/UBB+1 Interaction for Neurotoxicity of Alzheimer Disease by Proteasome Inhibition
To be Published
5G2D
  • Download 5g2d
  • View 5g2d
Molmil generated image of 5g2d
THE CRYSTAL STRUCTURE OF LIGHT-DRIVEN CHLORIDE PUMP CLR (T102N) MUTANT AT PH 4.5.
Descriptor:CHLORIDE PUMP RHODOPSIN, OLEIC ACID, RETINAL, ...
Authors:Kim, K.L., Kwon, S.K., Jun, S.H., Cha, J.S., Kim, H.Y., Kim, J.H., Cho, H.S.
Deposit date:2016-04-07
Release date:2016-10-19
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5ZTL
  • Download 5ztl
  • View 5ztl
Molmil generated image of 5ztl
NON-CRYOGENIC STRUCTURE OF LIGHT-DRIVEN CHLORIDE PUMP HAVING AN NTQ MOTIF
Descriptor:Chloride pumping rhodopsin, CHLORIDE ION, RETINAL, ...
Authors:Yun, J.H., Park, S.Y., Liu, H., Lee, W.
Deposit date:2018-05-04
Release date:2018-12-05
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
1DMM
  • Download 1dmm
  • View 1dmm
Molmil generated image of 1dmm
CRYSTAL STRUCTURES OF MUTANT ENZYMES Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B
Descriptor:STEROID DELTA-ISOMERASE
Authors:Kim, D.H., Jang, D.S., Nam, G.H., Oh, B.H., Choi, K.Y.
Deposit date:1999-12-14
Release date:2000-05-23
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B.
Biochemistry, 39, 2000
1IKG
  • Download 1ikg
  • View 1ikg
Molmil generated image of 1ikg
MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
Descriptor:D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
Authors:Mcdonough, M.A., Anderson, J.W., Silvaggi, N.R., Pratt, R.F., Knox, J.R., Kelly, J.A.
Deposit date:2001-05-03
Release date:2002-09-11
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
2CKX
  • Download 2ckx
  • View 2ckx
Molmil generated image of 2ckx
CRYSTAL STRUCTURE OF NGTRF1, DOUBLE-STRANDED TELOMERIC REPEAT BINDING FACTOR FROM NICOTIANA TABACUM.
Descriptor:TELOMERE BINDING PROTEIN TBP1
Authors:Byun, J.-S., Cho, H.-S.
Deposit date:2006-04-24
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DNA-Binding Domain of Ngtrf1 Reveals Unique Features of Plant Telomere-Binding Proteins.
Nucleic Acids Res., 36, 2008
2WCU
  • Download 2wcu
  • View 2wcu
Molmil generated image of 2wcu
CRYSTAL STRUCTURE OF MAMMALIAN FUCU
Descriptor:PROTEIN FUCU HOMOLOG, ALPHA-L-FUCOSE
Authors:Lee, K.-H., Kim, M.-S., Suh, H.-Y., Ku, B., Song, Y.-L., Oh, B.-H.
Deposit date:2009-03-17
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures and Enzyme Mechanism of a Dual Fucose Mutarotase/Ribose Pyranase
J.Mol.Biol., 391, 2009
2WCV
  • Download 2wcv
  • View 2wcv
Molmil generated image of 2wcv
CRYSTAL STRUCTURE OF BACTERIAL FUCU
Descriptor:L-FUCOSE MUTAROTASE, ALPHA-L-FUCOSE
Authors:Lee, K.-H., Kim, M.-S., Suh, H.-Y., Ku, B., Song, Y.-L., Oh, B.-H.
Deposit date:2009-03-17
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures and Enzyme Mechanism of a Dual Fucose Mutarotase/Ribose Pyranase
J.Mol.Biol., 391, 2009
5V6M
  • Download 5v6m
  • View 5v6m
Molmil generated image of 5v6m
CRYSTAL STRUCTURE OF RABBIT ANTI-HIV-1 GP120 V3 FAB 10A3 IN COMPLEX WITH V3 PEPTIDE CONB
Descriptor:Light chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A3, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A3, Envelope glycoprotein gp120 V3 peptide of Con B sequence, ...
Authors:Pan, R., Kong, X.-P.
Deposit date:2017-03-17
Release date:2018-01-17
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120.
J. Virol., 2018
2P3T
  • Download 2p3t
  • View 2p3t
Molmil generated image of 2p3t
CRYSTAL STRUCTURE OF HUMAN FACTOR XA COMPLEXED WITH 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE
Descriptor:Coagulation factor X, CALCIUM ION, CHLORIDE ION, ...
Authors:Adler, M., Whitlow, M.
Deposit date:2007-03-09
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007