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1BYA
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BU of 1bya by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYB
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BU of 1byb by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYC
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BU of 1byc by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYD
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BU of 1byd by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-2-deoxy-beta-D-arabino-hexopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
3IFB
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BU of 3ifb by Molmil
NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN
Authors:Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:1998-10-16
Release date:1998-10-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit.
J.Biomol.NMR, 9, 1997
2ZJ1
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BU of 2zj1 by Molmil
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3'-keto-aristeromycin
Descriptor: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
2ZJ0
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BU of 2zj0 by Molmil
Crystal structure of Mycobacterium tuberculosis S-Adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 2-fluoroadenosine
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
2Z9I
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BU of 2z9i by Molmil
Crystal structure of RV0983 from Mycobacterium tuberculosis- Proteolytically active form
Descriptor: GATV, PROBABLE SERINE PROTEASE PEPD, SVEQV
Authors:Palaninathan, S.K, Mohamedmohaideen, N.N, Sacchettini, J.C.
Deposit date:2007-09-20
Release date:2008-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of the virulence-associated high-temperature requirement A of Mycobacterium tuberculosis
Biochemistry, 47, 2008
2ZIZ
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BU of 2ziz by Molmil
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3-deazaadenosine
Descriptor: 3-DEAZA-ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
1AIV
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BU of 1aiv by Molmil
APO OVOTRANSFERRIN
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OVOTRANSFERRIN
Authors:Kurokawa, H, Dewan, J.C, Mikami, B, Sacchettini, J.C, Hirose, M.
Deposit date:1997-04-28
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of hen apo-ovotransferrin. Both lobes adopt an open conformation upon loss of iron
J.Biol.Chem., 274, 1999
4UBE
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BU of 4ube by Molmil
CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C.
Deposit date:2014-08-12
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
TO BE PUBLISHED
5KVV
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BU of 5kvv by Molmil
Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2016-07-15
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis
To Be Published
7RB1
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BU of 7rb1 by Molmil
Isocitrate Lyase-1 from Mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-D-isocitric acid
Descriptor: (3E)-3-(hydroxyimino)propanoic acid, GLYCEROL, GLYOXYLIC ACID, ...
Authors:Krieger, I.V, Mellott, D, Meek, T, Sacchettini, J.C.
Deposit date:2021-07-05
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism-Based Inactivation of Mycobacterium tuberculosis Isocitrate Lyase 1 by (2 R ,3 S )-2-Hydroxy-3-(nitromethyl)succinic acid.
J.Am.Chem.Soc., 143, 2021
7RUS
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BU of 7rus by Molmil
Crystal structure of the octameric form of Rv3208A
Descriptor: DUF3107 domain-containing protein
Authors:Mandyoli, L, Sacchettini, J.C.
Deposit date:2021-08-18
Release date:2022-08-24
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystal structure of the octameric form of Rv3208A
To Be Published
7RUR
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BU of 7rur by Molmil
Crystal structure of the hexadecameric form of Rv3208A
Descriptor: Conserved protein of uncharacterized function, TB9.4
Authors:Mandyoli, L, Sacchettini, J.C.
Deposit date:2021-08-18
Release date:2022-08-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the hexadecameric form of Rv3208A
To Be Published
7S8W
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BU of 7s8w by Molmil
Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine
Descriptor: MAGNESIUM ION, N-succinyl-L-phenylglycine, N-succinylamino acid racemase/O-succinylbenzoate synthase, ...
Authors:Truong, D.P, Rousseau, S, Sacchettini, J.C, Glasner, M.E.
Deposit date:2021-09-20
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Second-Shell Amino Acid R266 Helps Determine N -Succinylamino Acid Racemase Reaction Specificity in Promiscuous N -Succinylamino Acid Racemase/ o -Succinylbenzoate Synthase Enzymes.
Biochemistry, 60, 2021
8TQV
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BU of 8tqv by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403
Descriptor: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-08
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 2024
8TR4
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BU of 8tr4 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404
Descriptor: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-09
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 2024
8TRY
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BU of 8try by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348
Descriptor: N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 2024
1BM7
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BU of 1bm7 by Molmil
HUMAN TRANSTHYRETIN (PREALBUMIN) COMPLEX WITH FLUFENAMIC ACID (2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID)
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, PROTEIN (TRANSTHYRETIN)
Authors:Klabunde, T, Kelly, J.W, Sacchettini, J.C.
Deposit date:1998-07-29
Release date:1998-08-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibiting transthyretin conformational changes that lead to amyloid fibril formation.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BT1
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BU of 1bt1 by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE NATIVE CU(II)-CU(II) STATE
Descriptor: CU-O-CU LINKAGE, PROTEIN (CATECHOL OXIDASE)
Authors:Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
Deposit date:1998-09-02
Release date:1999-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
1BT3
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BU of 1bt3 by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES) IN THE NATIVE CU(II)-CU(II) STATE
Descriptor: CU-O-CU LINKAGE, PROTEIN (CATECHOL OXIDASE)
Authors:Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
Deposit date:1998-09-02
Release date:1999-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998
1BMZ
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BU of 1bmz by Molmil
HUMAN TRANSTHYRETIN (PREALBUMIN)
Descriptor: PROTEIN (TRANSTHYRETIN)
Authors:Klabunde, T, Kelly, J.W, Sacchettini, J.C.
Deposit date:1998-07-27
Release date:1998-08-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibiting transthyretin conformational changes that lead to amyloid fibril formation.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BTC
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BU of 1btc by Molmil
THREE-DIMENSIONAL STRUCTURE OF SOYBEAN BETA-AMYLASE DETERMINED AT 3.0 ANGSTROMS RESOLUTION: PRELIMINARY CHAIN TRACING OF THE COMPLEX WITH ALPHA-CYCLODEXTRIN
Descriptor: BETA-AMYLASE, BETA-MERCAPTOETHANOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Mikami, B, Hehre, E.J, Sato, M, Katsube, Y, Hirose, M, Morita, Y, Sacchettini, J.C.
Deposit date:1993-02-18
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0-A resolution structure of soybean beta-amylase complexed with alpha-cyclodextrin.
Biochemistry, 32, 1993
1BUG
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BU of 1bug by Molmil
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES)-INHIBITOR COMPLEX WITH PHENYLTHIOUREA (PTU)
Descriptor: COPPER (II) ION, N-PHENYLTHIOUREA, PROTEIN (CATECHOL OXIDASE)
Authors:Klabunde, T, Eicken, C, Sacchettini, J.C, Krebs, B.
Deposit date:1998-09-03
Release date:1999-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a plant catechol oxidase containing a dicopper center.
Nat.Struct.Biol., 5, 1998

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