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6MDQ
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BU of 6mdq by Molmil
Crystal structure of equine serum albumin in complex with testosterone
Descriptor: CITRATE ANION, Serum albumin, TESTOSTERONE
Authors:Czub, M.P, Majorek, K.A, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-09-05
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Testosterone meets albumin - the molecular mechanism of sex hormone transport by serum albumins.
Chem Sci, 10, 2019
6U4X
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BU of 6u4x by Molmil
Crystal structure of Equine Serum Albumin complex with ibuprofen
Descriptor: IBUPROFEN, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-26
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6EDD
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BU of 6edd by Molmil
Crystal structure of a GNAT Superfamily PA3944 acetyltransferase in complex with CoA (P1 space group)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-09
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
6U4R
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BU of 6u4r by Molmil
Crystal structure of Equine Serum Albumin complex with ketoprofen
Descriptor: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-26
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6U5A
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BU of 6u5a by Molmil
Crystal structure of Equine Serum Albumin complex with 6-MNA
Descriptor: (6-methoxynaphthalen-2-yl)acetic acid, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-27
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6WUW
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BU of 6wuw by Molmil
Crystal structure of Human Serum Albumin complex with JMS-053
Descriptor: 1,2-ETHANEDIOL, 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione, MYRISTIC ACID, ...
Authors:Czub, M.P, Cooper, D.R, Shabalin, I.G, Lazo, J.S, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-05
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.
Mol.Pharmacol., 98, 2020
7JWN
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BU of 7jwn by Molmil
Crystal structure of Human Serum Albumin in complex with ketoprofen
Descriptor: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, (R)-Ketoprofen, 1,2-ETHANEDIOL, ...
Authors:Czub, M.P, Shabalin, I.G, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-08-25
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Organism-specific differences in the binding of ketoprofen to serum albumin.
Iucrj, 9, 2022
7KYJ
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BU of 7kyj by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Shabalin, I.G, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-07
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a GNAT superfamily PA3944 acetyltransferase in complex with zinc
To Be Published
7KYE
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BU of 7kye by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-07
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
To Be Published
5TX7
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BU of 5tx7 by Molmil
Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris
Descriptor: D-isomer specific 2-hydroxyacid dehydrogenase family protein, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
Authors:Czub, M.P, Shabalin, I.G, Gasiorowska, O.A, Handing, K.B, Kutner, J, Cymborowski, M.T, Hennig, P.M, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2016-11-15
Release date:2016-12-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris
to be published
5U2K
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BU of 5u2k by Molmil
Crystal structure of Galactoside O-acetyltransferase complex with CoA (H3 space group)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A, ...
Authors:Czub, M.P, Porebski, P.J, Knapik, A.A, Niedzialkowska, E, Siuda, M.K, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-11-30
Release date:2016-12-14
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal structure of Galactoside O-acetyltransferase complex with CoA (H3 space group)
to be published
5V0V
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BU of 5v0v by Molmil
Crystal structure of Equine Serum Albumin complex with etodolac
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Steen, E.H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 2020
5V0Z
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BU of 5v0z by Molmil
Crystal structure of Galactoside O-acetyltransferase complex with CoA (P32 space group).
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A, ...
Authors:Czub, M.P, Porebski, P.J, Knapik, A.A, Niedzialkowska, E, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of Galactoside O-acetyltransferase complex with CoA (P32 space group).
to be published
6XK0
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BU of 6xk0 by Molmil
Albumin-dexamethasone complex
Descriptor: Albumin, CITRATE ANION, DEXAMETHASONE, ...
Authors:Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2020-06-24
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy.
Iucrj, 7, 2020
7KPP
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BU of 7kpp by Molmil
Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
7KPS
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BU of 7kps by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with AcCoA
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
6CI6
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BU of 6ci6 by Molmil
Crystal structure of equine serum albumin in complex with nabumetone
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ...
Authors:Venkataramany, B.S, Czub, M.P, Shabalin, I.G, Handing, K.B, Steen, E.H, Cooper, D.R, Joachimiak, A, Satchell, K.J.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-02-23
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 2020
7MBL
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BU of 7mbl by Molmil
Crystal structure of Equine Serum Albumin in complex with Cobalt (II)
Descriptor: COBALT (II) ION, SULFATE ION, Serum albumin
Authors:Shabalin, I.G, Czub, M.P, Handing, K.B, Cymborowski, M.T, Grabowski, M, Cooper, D.R, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-03-31
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Equine Serum Albumin in complex with Cobalt
To Be Published
6EDV
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BU of 6edv by Molmil
Structure of a GNAT superfamily acetyltransferase PA3944 in complex with CoA
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, CALCIUM ION, ...
Authors:Majorek, K.A, Satchell, K.J.F, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-12
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
8EY5
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BU of 8ey5 by Molmil
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3
Descriptor: COBALT (II) ION, MYRISTIC ACID, Serum albumin
Authors:Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-10-26
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human Serum Albumin with Cobalt (II) and Myristic Acid
To Be Published
8EW4
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BU of 8ew4 by Molmil
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1
Descriptor: COBALT (II) ION, MYRISTIC ACID, Serum albumin
Authors:Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-10-21
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human Serum Albumin with Cobalt (II) and Myristic Acid
To Be Published
8EW7
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BU of 8ew7 by Molmil
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2
Descriptor: COBALT (II) ION, MYRISTIC ACID, Serum albumin
Authors:Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-10-21
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Human Serum Albumin with Cobalt (II) and Myristic Acid
To Be Published
7MQV
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BU of 7mqv by Molmil
Crystal structure of truncated (ACT domain removed) prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD
Descriptor: CHLORIDE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Shabalin, I.G, Gritsunov, A, Gabryelska, A, Czub, M.P, Grabowski, M, Cooper, D.R, Christendat, D, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-06
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of Bacillus anthracis prephenate dehydrogenase identified an ACT regulatory domain and a novel mode of metabolic regulation for proteins within the prephenate dehydrogenase family of enzyme
to be published

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