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7BJ3
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BU of 7bj3 by Molmil
ScpA from Streptococcus pyogenes, S512A active site mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
著者Kagawa, T.F, O'Connell, M.R, Cooney, J.C.
登録日2021-01-13
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Comput Struct Biotechnol J, 19, 2021
7BBM
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BU of 7bbm by Molmil
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
分子名称: 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260
著者Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G.
登録日2020-12-18
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
8FSD
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BU of 8fsd by Molmil
P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF
分子名称: 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, ...
著者Beamer, L.J, Korasick, D.A.
登録日2023-01-09
公開日2023-10-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance.
Febs J., 291, 2024
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-21
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者O'Neill, A.G, Kollman, J.M.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-08-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
7PPL
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BU of 7ppl by Molmil
SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
分子名称: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ...
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
分子名称: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
分子名称: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
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
分子名称: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
著者Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
登録日2021-08-24
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Bothe, S, Schindelin, H.
登録日2021-10-01
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
著者Bobrovs, R, Jaudzems, K.
登録日2022-01-28
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
8OWF
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BU of 8owf by Molmil
Clostridium perfringens chitinase CP4_3455 with chitosan
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-27
公開日2023-07-12
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Clostridium perfringens chitinase CP4_3455 with chitosan
To Be Published
8OVR
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BU of 8ovr by Molmil
Clostridium perfringens chitinase CP56_3454 apo form
分子名称: Chitinase B, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), SODIUM ION, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-26
公開日2023-07-12
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clostridium perfringens chitinase CP56_3454 apo form
To Be Published
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
分子名称: PHOSPHATE ION, Triosephosphate isomerase
著者Vickers, C.J, Patrick, W.M, Fraga, D.
登録日2021-06-24
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of WweTPI - Candidate division WWE3
To Be Published
7R3U
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BU of 7r3u by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Snee, M, Katariya, M, Leys, D, Levy, C.
登録日2022-02-07
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-08-18
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SGC
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BU of 7sgc by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal five prime phosphates.
分子名称: DNA (5'-D(P*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*G)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-10-05
公開日2021-10-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SDP
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BU of 7sdp by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates.
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-09-29
公開日2021-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
登録日2021-09-02
公開日2021-11-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7S86
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BU of 7s86 by Molmil
Crystal structure of hydrophobin SC16, C2221
分子名称: 1,2-ETHANEDIOL, Hydrophobin, SODIUM ION
著者Vergunst, K.L, Langelaan, D.N.
登録日2021-09-17
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation
Sci Rep, 12, 2022
8OV8
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BU of 8ov8 by Molmil
Crystal structure of Ene-reductase 1 from black poplar mushroom in complex to NADP
分子名称: Ene-reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者Korf, L, Essen, L.-O, Karrer, D, Ruehl, M.
登録日2023-04-25
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Shifting the substrate scope of an ene/yne-reductase by loop engineering
To Be Published
7S7S
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BU of 7s7s by Molmil
Crystal structure of hydrophobin SC16, P21212
分子名称: Hydrophobin
著者Vergunst, K.L, Langelaan, D.N.
登録日2021-09-17
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation.
Sci Rep, 12, 2022
8PFF
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BU of 8pff by Molmil
Galectin-3C in complex with a triazolesulfone derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
著者Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
登録日2023-06-15
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
8Q7S
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BU of 8q7s by Molmil
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
著者Guttler, T, Aksu, M, Gorlich, D.
登録日2023-08-16
公開日2023-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023

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