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6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
Descriptor: (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6H
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BU of 6t6h by Molmil
Apo structure of the Bottromycin epimerase BotH
Descriptor: BotH, SODIUM ION, SULFATE ION
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-18
Release date:2020-07-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Z
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BU of 6t6z by Molmil
Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Y
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BU of 6t6y by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2
Descriptor: BotH, Bottromycin A2
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
7AYG
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BU of 7ayg by Molmil
oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-12
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7B2E
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BU of 7b2e by Molmil
quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-26
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
5H31
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BU of 5h31 by Molmil
Structural basis for dimerization of the death effector domains of Caspase-8
Descriptor: Caspase-8
Authors:Shen, C, Pei, J, Guo, X, Quan, J.
Deposit date:2016-10-19
Release date:2017-10-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.16953516 Å)
Cite:Structural basis for dimerization of the death effector domains of Caspase-8
To Be Published
5HLL
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BU of 5hll by Molmil
Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R.
Deposit date:2016-01-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Re-refinement of 4g4a: room-temperature X-ray diffraction study of cisplatin and its binding to His15 of HEWL after 14 months chemical exposure in the presence of DMSO.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5I6U
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BU of 5i6u by Molmil
The crystal structure of PI3Kdelta with compound 32
Descriptor: 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Somoza, J.R, Villasenor, A.G.
Deposit date:2016-02-16
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:The crystal structure of PI3Kdelta with compound 32
To Be Published
8EB9
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BU of 8eb9 by Molmil
Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici
Descriptor: SULFATE ION, Secreted in xylem Six8
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8EBB
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BU of 8ebb by Molmil
Crystal structure of SIX6 from Fusarium oxysporum f. sp. lycopersici
Descriptor: D(-)-TARTARIC ACID, Secreted in xylem Six6
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
7SSF
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BU of 7ssf by Molmil
Light harvesting phycobiliprotein HaPE560 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DiCys-(15,16)-Dihydrobiliverdin, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-10
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii
Commun Biol, 2023
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
8ERX
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BU of 8erx by Molmil
Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide
Descriptor: Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01
Authors:Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G.
Deposit date:2022-10-13
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
7T6A
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BU of 7t6a by Molmil
Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici
Descriptor: Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ...
Authors:Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J.
Deposit date:2021-12-13
Release date:2023-01-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
7T69
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BU of 7t69 by Molmil
Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici
Descriptor: Avr3 (SIX1), Secreted in xylem 1, SULFATE ION
Authors:Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J.
Deposit date:2021-12-13
Release date:2023-01-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
8FSD
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BU of 8fsd by Molmil
P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF
Descriptor: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
Authors:Beamer, L.J, Korasick, D.A.
Deposit date:2023-01-09
Release date:2023-10-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance.
Febs J., 291, 2024
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
Descriptor: Beta-amylase
Authors:Hofer, G, Keller, W.
Deposit date:2018-04-27
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.00004673 Å)
Cite:Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
7DZ5
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BU of 7dz5 by Molmil
Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii
Descriptor: D-sorbose, D-tagatose 3-epimerase, MAGNESIUM ION, ...
Authors:Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
Deposit date:2021-01-23
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substantial Improvement of an Epimerase for the Synthesis of D-Allulose by Biosensor-Based High-Throughput Microdroplet Screening
Angew.Chem.Int.Ed.Engl., 2023
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
Descriptor: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
Authors:Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
Deposit date:2021-08-24
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7PQN
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BU of 7pqn by Molmil
Catalytic fragment of MASP-2 in complex with ecotin
Descriptor: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ...
Authors:Harmat, V, Fodor, K, Heja, D.
Deposit date:2021-09-17
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.400015 Å)
Cite:Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
7PQO
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BU of 7pqo by Molmil
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
Descriptor: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
Authors:Harmat, V, Fodor, K, Heja, D.
Deposit date:2021-09-17
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
7Q7F
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BU of 7q7f by Molmil
Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Fixed-target high-pressure macromolecular crystallography
To Be Published

219869

数据于2024-05-15公开中

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