7RGO
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![BU of 7rgo by Molmil](/molmil-images/mine/7rgo) | DfrA5 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | Descriptor: | 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase type 5, GLYCEROL, ... | Authors: | Lombardo, M.N, Wright, D.L. | Deposit date: | 2021-07-15 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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7RGJ
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![BU of 7rgj by Molmil](/molmil-images/mine/7rgj) | DfrA1 complexed with NADPH and 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223) | Descriptor: | 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, CALCIUM ION, ... | Authors: | Lombardo, M.N, Wright, D.L. | Deposit date: | 2021-07-15 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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6UXC
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![BU of 6uxc by Molmil](/molmil-images/mine/6uxc) | |
7REG
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![BU of 7reg by Molmil](/molmil-images/mine/7reg) | DfrA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | Descriptor: | 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, CALCIUM ION, Dihydrofolate reductase type 1, ... | Authors: | Lombardo, M.N, Wright, D.L. | Deposit date: | 2021-07-12 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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6QBT
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![BU of 6qbt by Molmil](/molmil-images/mine/6qbt) | |
6QBV
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![BU of 6qbv by Molmil](/molmil-images/mine/6qbv) | |
6QBW
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![BU of 6qbw by Molmil](/molmil-images/mine/6qbw) | |
6UXD
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![BU of 6uxd by Molmil](/molmil-images/mine/6uxd) | |
8Q1H
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![BU of 8q1h by Molmil](/molmil-images/mine/8q1h) | LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1. Nat.Chem.Biol., 2024
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8Q1G
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![BU of 8q1g by Molmil](/molmil-images/mine/8q1g) | LSD1-CoREST bound to Acetylated K14 of Histone H3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1. Nat.Chem.Biol., 2024
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8Q1J
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![BU of 8q1j by Molmil](/molmil-images/mine/8q1j) | LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1. Nat.Chem.Biol., 2024
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5UE0
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![BU of 5ue0 by Molmil](/molmil-images/mine/5ue0) | 1.90 A resolution structure of CT622 C-terminal domain from Chlamydia trachomatis | Descriptor: | CT622 protein, SULFATE ION | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | Deposit date: | 2016-12-29 | Release date: | 2018-01-10 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Loss of Expression of a Single Type 3 Effector (CT622) Strongly ReducesChlamydia trachomatisInfectivity and Growth. Front Cell Infect Microbiol, 8, 2018
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1WA1
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![BU of 1wa1 by Molmil](/molmil-images/mine/1wa1) | Crystal Structure Of H313Q Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | Authors: | Barrett, M.L, Harris, R.L, Antonyuk, S.V, Strange, R.W, Hough, M.A, Eady, R.R, Sawers, G, Hasnain, S.S. | Deposit date: | 2004-10-22 | Release date: | 2005-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants Biochemistry, 43, 2004
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1WA0
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![BU of 1wa0 by Molmil](/molmil-images/mine/1wa0) | Crystal Structure Of W138H Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | Authors: | Barrett, M.L, Harris, R.L, Antonyuk, S.V, Strange, R.W, Hough, M.A, Eady, R.R, Sawers, G, Hasnain, S.S. | Deposit date: | 2004-10-22 | Release date: | 2005-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants Biochemistry, 43, 2004
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1WA2
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![BU of 1wa2 by Molmil](/molmil-images/mine/1wa2) | Crystal Structure Of H313Q Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase with nitrite bound | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE,, ... | Authors: | Barrett, M.L, Harris, R.L, Antonyuk, S.V, Strange, R.W, Hough, M.A, Eady, R.R, Sawers, G, Hasnain, S.S. | Deposit date: | 2004-10-22 | Release date: | 2005-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants Biochemistry, 43, 2004
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4MY6
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![BU of 4my6 by Molmil](/molmil-images/mine/4my6) | EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH | Descriptor: | (3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid, BROMIDE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y, Kuehne, R. | Deposit date: | 2013-09-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions. Proc.Natl.Acad.Sci.USA, 112, 2015
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2CAL
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![BU of 2cal by Molmil](/molmil-images/mine/2cal) | Crystal structure of His143Met rusticyanin | Descriptor: | COPPER (I) ION, RUSTICYANIN | Authors: | Barrett, M.L, Harvey, I, Sundararajan, M, Surendran, R, Hall, J.F, Ellis, M.J, Hough, M.A, Strange, R.W, Hillier, I.H, Hasnain, S.S. | Deposit date: | 2005-12-21 | Release date: | 2006-01-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties. Biochemistry, 45, 2006
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2CAK
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![BU of 2cak by Molmil](/molmil-images/mine/2cak) | 1.27Angstrom Structure of Rusticyanin from Thiobacillus ferrooxidans | Descriptor: | COPPER (I) ION, RUSTICYANIN | Authors: | Barrett, M.L, Harvey, I, Sundararajan, M, Surendran, R, Hall, J.F, Ellis, M.J, Hough, M.A, Strange, R.W, Hillier, I.H, Hasnain, S.S. | Deposit date: | 2005-12-21 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties. Biochemistry, 45, 2006
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5ECC
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![BU of 5ecc by Molmil](/molmil-images/mine/5ecc) | Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-yn-1-yl)pyrimidine-2,4-diamine | Descriptor: | 6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dehydrofolate reductase type I, ... | Authors: | Lombardo, M.N, Anderson, A.C. | Deposit date: | 2015-10-20 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates. ACS Infect Dis, 2, 2016
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2F44
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![BU of 2f44 by Molmil](/molmil-images/mine/2f44) | |
3CV3
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![BU of 3cv3 by Molmil](/molmil-images/mine/3cv3) | Crystal Structure of GumK mutant D157A in complex with UDP | Descriptor: | Glucuronosyltransferase GumK, URIDINE-5'-DIPHOSPHATE | Authors: | Barreras, M. | Deposit date: | 2008-04-17 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase. J.Biol.Chem., 283, 2008
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2F3N
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![BU of 2f3n by Molmil](/molmil-images/mine/2f3n) | |
3CUY
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![BU of 3cuy by Molmil](/molmil-images/mine/3cuy) | Crystal Structure of GumK mutant D157A | Descriptor: | Glucuronosyltransferase GumK | Authors: | Barreras, M. | Deposit date: | 2008-04-17 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase. J.Biol.Chem., 283, 2008
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3TUL
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![BU of 3tul by Molmil](/molmil-images/mine/3tul) | Crystal structure of N-terminal region of Type III Secretion Major Translocator SipB (residues 82-226) | Descriptor: | Cell invasion protein sipB | Authors: | Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V. | Deposit date: | 2011-09-16 | Release date: | 2012-02-15 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins. J.Mol.Biol., 417, 2012
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3R9V
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![BU of 3r9v by Molmil](/molmil-images/mine/3r9v) | Cocrystal Structure of Proteolytically Truncated Form of IpaD from Shigella flexneri Bound to Deoxycholate | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, Invasin ipaD | Authors: | Barta, M.L, Dickenson, N.E, Picking, W.L, Picking, W.D, Geisbrecht, B.V. | Deposit date: | 2011-03-26 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of the bile salt binding site on IpaD from Shigella flexneri and the influence of ligand binding on IpaD structure. Proteins, 80, 2012
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