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2R9X
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AmpC beta-lactamase with bound Phthalamide inhibitor
分子名称: 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2007-09-13
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
6OK8
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BU of 6ok8 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS K127L at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G.
登録日2019-04-12
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward the computational design of protein crystals with improved resolution.
Acta Crystallogr D Struct Biol, 75, 2019
2R9W
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BU of 2r9w by Molmil
AmpC beta-lactamase with bound Phthalamide inhibitor
分子名称: 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Babaoglu, K, Shoichet, B.K.
登録日2007-09-13
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
6OBQ
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BU of 6obq by Molmil
PP1 H66K in complex with Microcystin LR
分子名称: MANGANESE (II) ION, Microcystin LR, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OC0
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BU of 6oc0 by Molmil
Crystal structure of human DHODH with OSU-03012
分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
著者Durst, M.A, Lavie, A.
登録日2019-03-21
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
6OBP
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BU of 6obp by Molmil
Reconstituted PP1 holoenzyme
分子名称: CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Choy, M.S, Moon, T.M, Bray, J.A, Archuleta, T.L, Shi, W, Peti, W, Page, R.
登録日2019-03-21
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献SDS22 selectively recognizes and traps metal-deficient inactive PP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OHC
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BU of 6ohc by Molmil
E. coli Guanine Deaminase
分子名称: GLYCEROL, Guanine deaminase, ZINC ION
著者Shek, R.S, French, J.B.
登録日2019-04-05
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6OBX
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BU of 6obx by Molmil
Montbretin A analogue M10-MbA in complex with Human pancreatic alpha-amylase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Caner, S, Brayer, G.D.
登録日2019-03-21
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic alpha-amylase.
Chem Sci, 10, 2019
6OMF
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BU of 6omf by Molmil
CryoEM structure of SigmaS-transcription initiation complex with activator Crl
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Jaramillo Cartagena, A, Darst, S.A, Campbell, E.A.
登録日2019-04-18
公開日2019-08-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural basis for transcription activation by Crl through tethering of sigmaSand RNA polymerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OLI
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BU of 6oli by Molmil
Structure of human ribosome nascent chain complex selectively stalled by a drug-like small molecule (USO1-RNC)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Li, W, Cate, J.H.D.
登録日2019-04-16
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule.
Nat.Struct.Mol.Biol., 26, 2019
6ONE
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BU of 6one by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-188-A01.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, clade A/E 93TH057 HIV-1 gp120 core, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-22
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
6ONH
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BU of 6onh by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-IV-031-A05.
分子名称: (3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-22
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
6ONO
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BU of 6ono by Molmil
Complex structure of WhiB1 and region 4 of SigA in C2221 space group
分子名称: DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ...
著者Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M.
登録日2019-04-22
公開日2019-11-27
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
6ONV
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BU of 6onv by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-027-D05.
分子名称: (3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-22
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.253 Å)
主引用文献A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
8K5P
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BU of 8k5p by Molmil
Cryo-EM structure of yeast Rat1-bound Pol II pre-termination transcription complex 2 (Pol II Rat1-PTTC2)
分子名称: 5'-3' exoribonuclease 2, DNA (38-MER), DNA-directed RNA polymerase II subunit RPB1, ...
著者Zeng, Y, Zhang, Y.
登録日2023-07-23
公開日2024-01-31
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of exoribonuclease-mediated mRNA transcription termination.
Nature, 628, 2024
6OCI
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BU of 6oci by Molmil
Crystal Structure of Equine Serum Albumin in Complex with Ibuprofen
分子名称: FORMIC ACID, IBUPROFEN, SUCCINIC ACID, ...
著者Sekula, B, Zielinski, K, Bujacz, A, Bujacz, G.
登録日2019-03-24
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Chirality, 32, 2020
6OEY
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BU of 6oey by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(Pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
2RMF
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BU of 2rmf by Molmil
Human Urocortin 1
分子名称: Urocortin
著者Grace, C.R.R, Perrin, M.H, Cantle, J.P, Vale, W.W, Rivier, J.E, Riek, R.
登録日2007-10-16
公開日2008-01-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Common and divergent structural features of a series of corticotropin releasing factor-related peptides
J.Am.Chem.Soc., 129, 2007
2RN5
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BU of 2rn5 by Molmil
Humal Insulin Mutant B31Lys-B32Arg
分子名称: Insulin
著者Bocian, W, Kozerski, L.
登録日2007-12-06
公開日2008-10-28
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water/acetonitrile solution. Comparison with the solution structure of native human insulin monomer
Biopolymers, 89, 2008
8BTQ
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BU of 8btq by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd1-soaking)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Pennings, M.A.M, Visser, E.J, Ottmann, C.
登録日2022-11-29
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
6WUD
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BU of 6wud by Molmil
Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347
分子名称: Calcium and integrin-binding family member 3, MAGNESIUM ION, Transmembrane channel-like protein 1
著者Shapiro, L, Dionne, G.
登録日2020-05-04
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
6WU7
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BU of 6wu7 by Molmil
Human Calcium and Integrin Binding Protein 3 E150Q K151H
分子名称: ACETATE ION, CALCIUM ION, Calcium and integrin-binding family member 3
著者Shapiro, L, Dionne, G.
登録日2020-05-04
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
6WU5
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BU of 6wu5 by Molmil
Human Calcium and Integrin Binding Protein 3
分子名称: CALCIUM ION, CHLORIDE ION, Calcium and integrin-binding family member 3, ...
著者Dionne, G, Shapiro, L.
登録日2020-05-04
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
6OYA
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BU of 6oya by Molmil
Structure of the Rhodopsin-Transducin-Nanobody Complex
分子名称: Camelid antibody VHH fragment, Gt-alpha/Gi1-alpha chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Gao, Y, Hu, H, Ramachandran, S, Erickson, J.W, Cerione, R.A, Skiniotis, G.
登録日2019-05-14
公開日2019-07-24
最終更新日2019-12-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of the Rhodopsin-Transducin Complex: Insights into G-Protein Activation.
Mol.Cell, 75, 2019
6OLF
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BU of 6olf by Molmil
Human ribosome nascent chain complex (CDH1-RNC) stalled by a drug-like molecule with AA and PE tRNAs
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Li, W, Cate, J.H.D.
登録日2019-04-16
公開日2019-06-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for selective stalling of human ribosome nascent chain complexes by a drug-like molecule.
Nat.Struct.Mol.Biol., 26, 2019

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