4Y4K
 
 | | Crystal structure of the mCD1d/EF77/iNKTCR ternary complex | | Descriptor: | (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M, Birkholz, A.M. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
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7XR9
 | | Crystal structure of DgpA with glucose | | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, beta-D-glucopyranose | | Authors: | Ma, W, He, P. | | Deposit date: | 2022-05-09 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
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4N3C
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7W26
 | | monolignol ferulate transferase | | Descriptor: | Ferulate monolignol transferase | | Authors: | Xi, L, Shuliu, D, Yue, F, Yi, Z. | | Deposit date: | 2021-11-22 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal structure of the plant feruloyl-coenzyme A monolignol transferase provides insights into the formation of monolignol ferulate conjugates.
Biochem.Biophys.Res.Commun., 594, 2022
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2O9C
 | | Crystal Structure of Bacteriophytochrome chromophore binding domain at 1.45 angstrom resolution | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | | Authors: | Wagner, J.R, Brunzelle, J.S, Vierstra, R.D, Forest, K.T. | | Deposit date: | 2006-12-13 | | Release date: | 2007-03-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High resolution structure of deinococcus bacteriophytochrome yields new insights into phytochrome architecture and evolution.
J.Biol.Chem., 282, 2007
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4GNF
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3 peptide 1-15 | | Descriptor: | Histone H3.3, Histone-lysine N-methyltransferase NSD3, ZINC ION | | Authors: | Li, F, He, C, Wu, J, Shi, Y. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
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4USA
 | | Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with trans-cinnamaldehyde | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ... | | Authors: | Correia, H.D, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2014-07-03 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
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4GNG
 | | Crystal Structure of NSD3 tandem PHD5-C5HCH domains complexed with H3K9me3 peptide | | Descriptor: | GLYCEROL, Histone H3.3, Histone-lysine N-methyltransferase NSD3, ... | | Authors: | Li, F, He, C, Wu, J, Shi, Y. | | Deposit date: | 2012-08-17 | | Release date: | 2013-01-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
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6JBT
 | | Complex structure of toripalimab-Fab and PD-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ... | | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | | Deposit date: | 2019-01-26 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
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5O79
 | | Klebsiella pneumoniae OmpK36 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36 | | Authors: | van den berg, B, Pathania, M. | | Deposit date: | 2017-06-08 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
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5T5G
 | | human SETD8 in complex with MS2177 | | Descriptor: | 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-08-30 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
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5DRT
 | | Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide] | | Descriptor: | 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | | Deposit date: | 2015-09-16 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
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4L5B
 | | Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor | | Descriptor: | 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-06-10 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
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6VDW
 | | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Manganese(III) Porphyrin and Substrate 4-nitrophenol | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | | Deposit date: | 2019-12-27 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
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4ES5
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6RD7
 | | CryoEM structure of Polytomella F-ATP synthase, c-ring position 1, focussed refinement of Fo and peripheral stalk | | Descriptor: | ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-9: Polytomella F-ATP synthase associated subunit 9, ATP synthase associated protein ASA1, ... | | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-03 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
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6RDJ
 | | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1A, focussed refinement of F1 head and rotor | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ... | | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
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6RDU
 | | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, monomer-masked refinement | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
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6REC
 | | Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3A, monomer-masked refinement | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ... | | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
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6DHD
 | | Bovine glutamate dehydrogenase complexed with NADH, GTP, glutamate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Smith, T.J. | | Deposit date: | 2018-05-19 | | Release date: | 2018-07-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J. Mol. Biol., 307, 2001
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4Y4H
 | | Crystal structure of the mCD1d/GCK152/iNKTCR ternary complex | | Descriptor: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M, Yu, E.D. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
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8JX7
 | | Cryo-EM structure of human ABC transporter ABCC2 | | Descriptor: | ATP-binding cassette sub-family C member 2 | | Authors: | Mao, Y.X, Chen, Z.P, Wang, L, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2023-06-30 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Transport mechanism of human bilirubin transporter ABCC2 tuned by the inter-module regulatory domain.
Nat Commun, 15, 2024
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8JY5
 | | Cryo-EM structure of human ABC transporter ABCC2 in apo" state | | Descriptor: | ATP-binding cassette sub-family C member 2 | | Authors: | Mao, Y.X, Chen, Z.P, Wang, L, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2023-07-03 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | Transport mechanism of human bilirubin transporter ABCC2 tuned by the inter-module regulatory domain.
Nat Commun, 15, 2024
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8JY4
 | | Cryo-EM structure of human ABC transporter ABCC2 in apo' state | | Descriptor: | ATP-binding cassette sub-family C member 2 | | Authors: | Mao, Y.X, Chen, Z.P, Wang, L, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2023-07-02 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Transport mechanism of human bilirubin transporter ABCC2 tuned by the inter-module regulatory domain.
Nat Commun, 15, 2024
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8JXU
 | | Cryo-EM structure of human ABC transporter ABCC2 under active turnover condition | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 2, ... | | Authors: | Mao, Y.X, Chen, Z.P, Wang, L, Hou, W.T, Chen, Y.X, Zhou, C.Z. | | Deposit date: | 2023-07-01 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Transport mechanism of human bilirubin transporter ABCC2 tuned by the inter-module regulatory domain.
Nat Commun, 15, 2024
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