5X2S
 
 | |
6PFB
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid. | | Descriptor: | 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.089 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
|
|
5X32
 | | Crystal structure of D-mannose isomerase | | Descriptor: | N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Kato, K, Saburi, W, Yao, M. | | Deposit date: | 2017-02-03 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.586 Å) | | Cite: | Biochemical and structural characterization of Marinomonas mediterranead-mannose isomerase Marme_2490 phylogenetically distant from known enzymes
Biochimie, 144, 2018
|
|
8Q4D
 | | IstA-IstB(E167Q) Strand Transfer Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (118-MER) / TIR-transferred strand, ... | | Authors: | de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E. | | Deposit date: | 2023-08-06 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Molecular basis for transposase activation by a dedicated AAA+ ATPase.
Nature, 630, 2024
|
|
7DNZ
 | | Cryo-EM structure of the human ABCB6 (Hemin and GSH-bound) | | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kim, S, Lee, S.S, Park, J.G, Kim, J.W, Kim, S, Kim, N.J, Hong, S, Kang, J.Y, Jin, M.S. | | Deposit date: | 2020-12-11 | | Release date: | 2022-06-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Insights into Porphyrin Recognition by the Human ATP-Binding Cassette Transporter ABCB6.
Mol.Cells, 45, 2022
|
|
6PFA
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)methyl)benzoic acid. | | Descriptor: | 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
|
|
7DNY
 | | Cryo-EM structure of the human ABCB6 (coproporphyrin III-bound) | | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kim, S, Lee, S.S, Park, J.G, Kim, J.W, Kim, S, Kim, N.J, Hong, S, Kang, J.Y, Jin, M.S. | | Deposit date: | 2020-12-11 | | Release date: | 2022-06-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural Insights into Porphyrin Recognition by the Human ATP-Binding Cassette Transporter ABCB6.
Mol.Cells, 45, 2022
|
|
5XET
 | | Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine--tRNA ligase, ... | | Authors: | Wang, W, Qin, B, Wojdyla, J.A, Wang, M, Gao, X, Cui, S. | | Deposit date: | 2017-04-06 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism.
IUCrJ, 5, 2018
|
|
6PJB
 | | HIV-1 Protease NL4-3 WT in Complex with Lopinavir | | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
|
|
6PJN
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-41 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
|
|
6PA7
 | | The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome. | | Descriptor: | CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ... | | Authors: | Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
|
|
8Q4H
 | | a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex | | Descriptor: | (~{Z})-1,2-bis(chloranyl)ethene, CO-METHYLCOBALAMIN, IRON/SULFUR CLUSTER, ... | | Authors: | Dongchun, N, Ekundayo, B, Henning, S, Julien, M, Holliger, C, Cimmino, L. | | Deposit date: | 2023-08-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structure of a membrane-bound menaquinol:organohalide oxidoreductase.
Nat Commun, 14, 2023
|
|
8PWS
 | | Dye-decolourising peroxidase DtpB (56 kGy) | | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Owen, R.L, Strange, R.W. | | Deposit date: | 2023-07-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dye-decolourising peroxidase DtpB (56 kGy)
To Be Published
|
|
6PF4
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.854 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
|
|
6PFI
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid. | | Descriptor: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
|
|
6PFE
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.812 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
|
|
8PWY
 | | Dye-decolourising peroxidase DtpB (112 kGy) | | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Owen, R.L, Strange, R.W. | | Deposit date: | 2023-07-21 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dye-decolourising peroxidase DtpB (56 kGy)
To Be Published
|
|
8Q8I
 | | AO75L in complex with a synthetic trisaccharide acceptor. | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, BICINE, ... | | Authors: | Laugueri, M.E, Speciale, I, Gimeno, A, Sicheng, L, Poveda, A, Lowary, T, Van Etten J, L, Barbero, J, De Castro, C, Tonetti, M, Rojas A, L. | | Deposit date: | 2023-08-18 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | AO75L in complex with a synthetic trisaccharide acceptor.
To Be Published
|
|
5XFI
 | |
8PXZ
 | | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate | | Descriptor: | (2~{R})-2-[[(2~{S},6~{R})-6,7-bis(azanyl)-2-[[(4~{R})-4,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-7-oxidanylidene-heptanoyl]amino]propanoic acid, (2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide, 1,2-ETHANEDIOL, ... | | Authors: | de Munnik, M, Schofield, C.J. | | Deposit date: | 2023-07-24 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with natural substrate
To Be Published
|
|
6PJL
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-95 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
|
|
8PXY
 | |
8PXP
 | |
8PD8
 | | cAMP-bound SpSLC9C1 in lipid nanodiscs, dimer | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-12 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
|
|
8PD3
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 2 | | Descriptor: | Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
|
|
