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7SZQ
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BU of 7szq by Molmil
Human P300 complexed with an azaindazole inhibitor
分子名称: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300
著者Shewchuk, L.M, Reid, R.A.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
7SSK
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BU of 7ssk by Molmil
Human P300 complexed with a glycine-based inhibitor
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ...
著者Shewchuk, L.M, Reid, R.A.
登録日2021-11-11
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
7SS8
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BU of 7ss8 by Molmil
Human P300 complexed with a proline-based inhibitor
分子名称: 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ...
著者Shewchuk, L.M, Reid, R.A.
登録日2021-11-10
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
1A4A
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BU of 1a4a by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 6.5 CRYSTAL FORM, DATA COLLECTED AT 16 DEGREES CELSIUS
分子名称: AZURIN, COPPER (II) ION
著者Messerschmidt, A, Prade, L.
登録日1998-01-28
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
1A4C
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BU of 1a4c by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
分子名称: AZURIN, COPPER (II) ION, NITRATE ION, ...
著者Messerschmidt, A, Prade, L.
登録日1998-01-28
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
1B75
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BU of 1b75 by Molmil
SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN L25 FROM ESCHERICHIA COLI
分子名称: PROTEIN (50S RIBOSOMAL PROTEIN L25)
著者Stoldt, M, Woehnert, J, Goerlach, M, Brown, L.R.
登録日1999-01-27
公開日2000-01-26
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The NMR structure of Escherichia coli ribosomal protein L25 shows homology to general stress proteins and glutaminyl-tRNA synthetases.
EMBO J., 17, 1998
1A4B
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BU of 1a4b by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 6.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
分子名称: AZURIN, COPPER (II) ION, SULFATE ION
著者Messerschmidt, A, Prade, L.
登録日1998-01-28
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
8DT8
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BU of 8dt8 by Molmil
LM18/Nb136 bispecific tetra-nanobody immunoglobulin in complex with SARS-CoV-2-6P-Mut7 S protein (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LM18 nanobody, Nb136 nanobody, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2022-07-25
公開日2023-06-14
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
6U57
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BU of 6u57 by Molmil
KDO8PS Structure Determined at the EuXFEL using Segmented Flow Injection
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase
著者Botha, S, Ros, A.
登録日2019-08-27
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Segmented flow generator for serial crystallography at the European X-ray free electron laser.
Nat Commun, 11, 2020
8ELO
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BU of 8elo by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-225
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELQ
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BU of 8elq by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-255
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELP
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BU of 8elp by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-240
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-09-26
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GF2
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BU of 8gf2 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies eCR3022.20 and CC12.3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2023-03-07
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Broadening a SARS-CoV-1-neutralizing antibody for potent SARS-CoV-2 neutralization through directed evolution.
Sci.Signal., 16, 2023
8FEG
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BU of 8feg by Molmil
CryoEM structure of Kappa Opioid Receptor bound to a semi-peptide and Gi1
分子名称: ACE-TYR-ALA-DTY-THR-THR-CYS-THR-DPN-XT9, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Fay, J.F, Che, T.
登録日2022-12-06
公開日2023-12-06
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Design and structural validation of peptide-drug conjugate ligands of the kappa-opioid receptor.
Nat Commun, 14, 2023
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
登録日2018-02-23
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76000106 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
7AUW
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BU of 7auw by Molmil
Inhibitory complex of human meprin beta with mouse fetuin-B.
分子名称: 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, Fetuin-B, ...
著者Eckhard, U, Gomis-Ruth, F.X.
登録日2020-11-03
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of a 250-kDa heterotetrameric particle explains inhibition of sheddase meprin beta by endogenous fetuin-B.
Proc.Natl.Acad.Sci.USA, 118, 2021
8Q7Y
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BU of 8q7y by Molmil
ESIBD structure of beta-galactosidase
分子名称: Beta-galactosidase
著者Esser, T, Boehning, J, Bharat, T.A.M, Rauschenbach, S.
登録日2023-08-17
公開日2024-01-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Cryo-EM of soft-landed beta-galactosidase: Gas-phase and native structures are remarkably similar.
Sci Adv, 10, 2024
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
登録日2018-06-18
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
8BWT
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BU of 8bwt by Molmil
Structure of a symmetrical internal loop motif with three consecutive U:U mismatches from stem-loop 1 in the 3'-UTR of the SARS-CoV2 genomic RNA
分子名称: RNA (26-MER)
著者Voegele, J, Duchardt-Ferner, E, Schwalbe, H, Woehnert, J.
登録日2022-12-07
公開日2023-08-30
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Structure of an internal loop motif with three consecutive U•U mismatches from stem-loop 1 in the 3'-UTR of the SARS-CoV-2 genomic RNA.
Nucleic Acids Res., 52, 2024
6TRP
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BU of 6trp by Molmil
Solution Structure of Docking Domain Complex of Pax NRPS: PaxC NDD - PaxB CDD
分子名称: Peptide synthetase XpsB,Peptide synthetase XpsB
著者Watzel, J, Hacker, C, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
登録日2019-12-19
公開日2020-08-12
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A New Docking Domain Type in the Peptide-Antimicrobial-Xenorhabdus Peptide Producing Nonribosomal Peptide Synthetase fromXenorhabdus bovienii.
Acs Chem.Biol., 15, 2020
7B2B
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BU of 7b2b by Molmil
Solution structure of a non-covalent extended docking domain complex of the Pax NRPS: PaxA T1-CDD/PaxB NDD
分子名称: Amino acid adenylation domain-containing protein, Peptide synthetase PaxA
著者Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
登録日2020-11-26
公開日2021-06-16
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
7B2F
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BU of 7b2f by Molmil
Solution structure of the Pax NRPS docking domain PaxB NDD
分子名称: Peptide synthetase XpsB (Modular protein)
著者Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
登録日2020-11-26
公開日2021-06-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
7ZOC
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BU of 7zoc by Molmil
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl-2-alkylmercaptoacetamide-based inhibitor
分子名称: CALCIUM ION, Collagenase ColH, ZINC ION, ...
著者Schoenauer, E, Brandstetter, H.
登録日2022-04-25
公開日2023-05-10
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献N-Aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of Pseudomonas aeruginosa virulence factor LasB and Clostridium histolyticum virulence factor ColH
Chemrxiv, 2022
3RKF
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BU of 3rkf by Molmil
Crystal structure of guanine riboswitch C61U/G37A double mutant bound to thio-guanine
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, COBALT HEXAMMINE(III), Guanine riboswitch
著者Buck, J, Wacker, A, Warkentin, E, Woehnert, J, Wirmer-Bartoschek, J, Schwalbe, H.
登録日2011-04-18
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Influence of ground-state structure and Mg2+ binding on folding kinetics of the guanine-sensing riboswitch aptamer domain.
Nucleic Acids Res., 39, 2011
1ABW
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BU of 1abw by Molmil
DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN)
分子名称: HEMOGLOBIN-BASED BLOOD SUBSTITUTE, LEUCINE, METHIONINE, ...
著者Kundrot, C.E, Kroeger, K.S.
登録日1997-01-29
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of a hemoglobin-based blood substitute: insights into the function of allosteric proteins.
Structure, 5, 1997

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