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8OPV
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BU of 8opv by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11)
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQM
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BU of 8oqm by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
8OQU
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BU of 8oqu by Molmil
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92
Descriptor: 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic acid, GLYCEROL, ...
Authors:Dalwani, S, Wierenga, R.K, Venkatesan, R.
Deposit date:2023-04-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
Biorxiv, 2024
3LC5
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BU of 3lc5 by Molmil
Selective Benzothiophine Inhibitors of Factor IXa
Descriptor: 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, CALCIUM ION, Coagulation factor IX
Authors:Wang, S, Beck, R.
Deposit date:2010-01-09
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors.
J.Med.Chem., 53, 2010
1D1P
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BU of 1d1p by Molmil
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TYROSINE PHOSPHATASE
Authors:Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Stauffacher, C.V.
Deposit date:1999-09-20
Release date:2000-03-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
1D1Q
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BU of 1d1q by Molmil
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP
Descriptor: 4-NITROPHENYL PHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Staufacher, C.V.
Deposit date:1999-09-20
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
5H5A
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BU of 5h5a by Molmil
Mdm12 from K. lactis (1-239), Lys residues are uniformly dimethyl modified
Descriptor: Mitochondrial distribution and morphology protein 12, POTASSIUM ION, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Kawano, S, Quinbara, S, Endo, T.
Deposit date:2016-11-04
Release date:2017-11-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5H54
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BU of 5h54 by Molmil
Mdm12 from K. lactis 1-239
Descriptor: Mitochondrial distribution and morphology protein 12
Authors:Kawano, S, Quinbara, S, Endo, T.
Deposit date:2016-11-04
Release date:2017-11-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5H55
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BU of 5h55 by Molmil
Mdm12 from K. lactis
Descriptor: Mitochondrial distribution and morphology protein 12
Authors:Kawano, S, Quinbara, S.
Deposit date:2016-11-04
Release date:2017-11-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5H5C
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BU of 5h5c by Molmil
Mdm12 from K. lactis (1-239), uniformly Lys dimethyl modified, crystallized in FOS-MEA-10
Descriptor: Mitochondrial distribution and morphology protein 12
Authors:Kawano, S, Quinbara, S, Endo, T.
Deposit date:2016-11-05
Release date:2017-11-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
1A8Y
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BU of 1a8y by Molmil
CRYSTAL STRUCTURE OF CALSEQUESTRIN FROM RABBIT SKELETAL MUSCLE SARCOPLASMIC RETICULUM AT 2.4 A RESOLUTION
Descriptor: CALSEQUESTRIN
Authors:Wang, S, Trumble, W.R, Liao, H, Wesson, C.R, Dunker, A.K, Kang, C.
Deposit date:1998-03-31
Release date:1999-03-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of calsequestrin from rabbit skeletal muscle sarcoplasmic reticulum.
Nat.Struct.Biol., 5, 1998
8G4T
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BU of 8g4t by Molmil
Vaccine-elicited human antibody 2C09 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein BG505 DS-SOSIP gp120, ...
Authors:Wang, S, Kwong, P.D.
Deposit date:2023-02-10
Release date:2023-07-12
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
2A86
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BU of 2a86 by Molmil
Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-ALANINE, ETHANOL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-07
Release date:2006-02-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A84
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BU of 2a84 by Molmil
Crystal structure of A Pantothenate synthetase complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-07
Release date:2006-02-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A88
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BU of 2a88 by Molmil
Crystal structure of A Pantothenate synthetase, apo enzyme in C2 space group
Descriptor: GLYCEROL, Pantoate--beta-alanine ligase, SULFATE ION
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-07
Release date:2006-02-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A7X
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BU of 2a7x by Molmil
Crystal Structure of A Pantothenate synthetase complexed with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, Pantoate-beta-alanine ligase, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2005-07-06
Release date:2006-02-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
4Y63
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BU of 4y63 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y62
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BU of 4y62 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
4Y64
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BU of 4y64 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
8JRJ
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BU of 8jrj by Molmil
Crystal structure of the bat MHC II molecule at 2.8 A resolution
Descriptor: ALA-SER-PHE-ILE-ILE-ARG-SER-MET-PRO-GLN-GLU-THR, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Wang, S.
Deposit date:2023-06-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the bat MHC II molecule at 2.8 A resolution
To Be Published
8JRK
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BU of 8jrk by Molmil
Crystal structure of the bat MHC II molecule at 2.3 A resolution
Descriptor: ASN-ASP-ILE-LEU-SER-ARG-LEU-ASP-PRO-PRO-GLU-ALA-SER, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Wang, S.
Deposit date:2023-06-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the bat MHC II molecule at 2.3 A resolution
To Be Published
8JV0
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BU of 8jv0 by Molmil
Crystal structure of the SLA-2*1001 allele and ASFV antigenic peptide at 2.2A resolution
Descriptor: Beta-2-microglobulin, MHC class I antigen, TYR-MET-ASN-CYS-SER-LEU-PRO-THR-TYR
Authors:Wang, S.
Deposit date:2023-06-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the SLA-2*1001 allele and ASFV antigenic peptide at 2.2A resolution
To Be Published
1N2H
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BU of 1n2h by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate
Descriptor: ETHANOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2G
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BU of 1n2g by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1N2E
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BU of 1n2e by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003

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