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PDB: 12889 件

1ZEA
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BU of 1zea by Molmil
Structure of the anti-cholera toxin antibody Fab fragment TE33 in complex with a D-peptide
分子名称: CITRIC ACID, monoclonal anti-cholera toxin IGG1 KAPPA antibody, H chain, ...
著者Scheerer, P, Krauss, N, Wessner, H, Scholz, C, Otte, L, Seifert, M, Kramer, A, Schneider-Mergener, J, Hoehne, W.
登録日2005-04-18
公開日2006-04-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of an anti-cholera toxin antibody Fab in complex with an epitope-derived D-peptide: a case of polyspecific recognition.
J.Mol.Recognit., 20, 2007
6YIZ
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BU of 6yiz by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with triazolo-pyridine inverse agonist A
分子名称: 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid, MAGNESIUM ION, Transcriptional regulator MvfR, ...
著者Schmelz, S, Blankenfeldt, W.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms.
Adv Sci, 8, 2021
6YN3
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Thrombin in complex with 4-hydroxybenzamide (j89)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N.
登録日2020-04-10
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Thrombin in complex with 4-hydroxybenzamide (j89)
To be published
6YMP
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BU of 6ymp by Molmil
Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N.
登録日2020-04-09
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54)
To be published
6YR2
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BU of 6yr2 by Molmil
TetR(D) soaked with Tigecycline P4(1)2(1)2
分子名称: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
著者Hinrichs, W, Stary, K.
登録日2020-04-19
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献TetR(D) soaked with Tigecycline
to be published
6YQV
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BU of 6yqv by Molmil
Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N.
登録日2020-04-18
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94)
To be published
6YR1
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TetR(D) soaked with Tigecycline I4(1)22
分子名称: CHLORIDE ION, MAGNESIUM ION, TIGECYCLINE, ...
著者Hinrichs, W, Stary, K.
登録日2020-04-18
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献TetR(D) soaked with Tigecycline
to be published
4NOM
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BU of 4nom by Molmil
Crystal structure of asparaginyl endopeptidase (AEP)/Legumain activated at pH 4.5
分子名称: Legumain
著者Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
登録日2013-11-19
公開日2014-02-19
最終更新日2014-03-19
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
6RV3
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BU of 6rv3 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-05-30
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
8HP3
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BU of 8hp3 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
分子名称: 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tan, Y, Song, W.
登録日2022-12-11
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
6S0R
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BU of 6s0r by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus complex with nickel, sulfate and chloride
分子名称: CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
著者Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
登録日2019-06-18
公開日2020-07-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6RZ4
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BU of 6rz4 by Molmil
Crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ...
著者Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V.
登録日2019-06-12
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
8HP0
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BU of 8hp0 by Molmil
Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION
著者Tan, Y, Song, W.
登録日2022-12-11
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine.
Appl.Environ.Microbiol., 89, 2023
6XQQ
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BU of 6xqq by Molmil
Structure of human D462-E4 TCR
分子名称: GLYCEROL, TRAV12-2 alpha chain, TRBV29-1
著者Awad, W, Rossjohn, J.
登録日2020-07-10
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
6XQP
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BU of 6xqp by Molmil
Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU
分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, BROMIDE ION, Beta-2-microglobulin, ...
著者Awad, W, Rossjohn, J.
登録日2020-07-10
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
6ME5
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BU of 6me5 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine
分子名称: OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
著者Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
4DO1
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BU of 4do1 by Molmil
The crystal structures of 4-methoxybenzoate bound CYP199A4
分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
著者Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L.
登録日2012-02-09
公開日2012-08-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
4NOK
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BU of 4nok by Molmil
Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5
分子名称: Legumain
著者Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
登録日2013-11-19
公開日2014-02-19
最終更新日2014-03-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
4DNJ
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BU of 4dnj by Molmil
The crystal structures of 4-methoxybenzoate bound CYP199A2
分子名称: 4-METHOXYBENZOIC ACID, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L.
登録日2012-02-08
公開日2012-08-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
6STI
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BU of 6sti by Molmil
Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide
分子名称: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid, ACETATE ION, Nuclear receptor coactivator 2, ...
著者le Maire, A, Teyssier, C, Germain, P, Bourguet, W.
登録日2019-09-10
公開日2019-11-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Regulation of RXR-RAR Heterodimers by RXR- and RAR-Specific Ligands and Their Combinations.
Cells, 8, 2019
3BFC
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BU of 3bfc by Molmil
class A beta-lactamase SED-G238C complexed with imipenem
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Class A beta-lactamase Sed1
著者Pernot, L, Petrella, S, Sougakoff, W.
登録日2007-11-21
公開日2007-12-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Acyl-intermediate structures of the class A beta-lactamase SED-G238C
To be Published
6WQZ
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BU of 6wqz by Molmil
Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery
分子名称: Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol
著者Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A.
登録日2020-04-29
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery.
Cell Rep, 31, 2020
6WV7
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BU of 6wv7 by Molmil
Human VKOR with Chlorophacinone
分子名称: Chlorophacinone, Vitamin K epoxide reductase, termini restrained by green fluorescent protein
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
721P
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BU of 721p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
分子名称: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
登録日1991-06-06
公開日1994-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
6WXW
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BU of 6wxw by Molmil
crystal structure of apo Card1
分子名称: Card1
著者Rostol, J, Xie, W, Patel, D.J, Marraffini, L.
登録日2020-05-12
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The Card1 nuclease provides defence during type III CRISPR immunity.
Nature, 590, 2021

222036

件を2024-07-03に公開中

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