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PDB: 51938 results

2E66
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Crystal Structure Of CutA1 From Pyrococcus Horikoshii OT3, Mutation D60A
Descriptor: CHLORIDE ION, Divalent-cation tolerance protein cutA, SODIUM ION
Authors:Bagautdinov, B, Sawano, M, Bagautdinova, S, Yutani, K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-12-25
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the hyper-thermostability of CutA1
To be Published
2EAD
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BU of 2ead by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complex with substrate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-fucosidase, CALCIUM ION, ...
Authors:Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
Deposit date:2007-01-31
Release date:2007-04-24
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
2EB7
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BU of 2eb7 by Molmil
Crystal structure of the hypothetical regulator from Sulfolobus tokodaii 7
Descriptor: 146aa long hypothetical transcriptional regulator
Authors:Kumarevel, T.S, Nishio, M, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-07
Release date:2007-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the MarR family regulatory protein, ST1710, from Sulfolobus tokodaii strain 7
J.Struct.Biol., 161, 2008
2EBM
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BU of 2ebm by Molmil
Solution structure of the RWD domain of human RWD domain containing protein 1
Descriptor: RWD domain-containing protein 1
Authors:Yoneyama, M, Tomizawa, T, Koshiba, S, Watabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-09
Release date:2007-08-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the RWD domain of human RWD domain containing protein 1
To be Published
2ECC
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BU of 2ecc by Molmil
Solution Structure of the second Homeobox Domain of Human Homeodomain Leucine Zipper-Encoding Gene (Homez)
Descriptor: Homeobox and leucine zipper protein Homez
Authors:Ohnishi, S, Kamatari, Y.O, Tochio, N, Nameki, N, Miyamoto, K, Li, H, Kobayashi, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-13
Release date:2007-02-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the second Homeobox Domain of Human Homeodomain Leucine Zipper-Encoding Gene (Homez)
To be Published
2ECO
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BU of 2eco by Molmil
Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 4-methylvalerate
Descriptor: 4-METHYL VALERIC ACID, O-acetylserine (Thiol)-lyase, PYRIDOXAL-5'-PHOSPHATE
Authors:Goto, M.
Deposit date:2007-02-13
Release date:2008-02-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 4-methylvalerate
to be published
2ECW
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BU of 2ecw by Molmil
Solution structure of the Zinc finger, C3HC4 type (RING finger) domain Tripartite motif protein 30
Descriptor: Tripartite motif-containing protein 30, ZINC ION
Authors:Abe, H, Miyamoto, K, Tochio, N, Yoneyama, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-14
Release date:2008-02-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Zinc finger, C3HC4 type (RING finger) domain Tripartite motif protein 30
To be Published
2EDH
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BU of 2edh by Molmil
Solution structure of the PDZ domain (3614- 3713 ) from human obscurin
Descriptor: Obscurin
Authors:Endo, H, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-14
Release date:2007-08-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the PDZ domain ( 3614 - 3713 ) from human obscurin
To be Published
2EE0
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BU of 2ee0 by Molmil
Solution structures of the CA domain of human protocadherin 9
Descriptor: Protocadherin-9
Authors:Sato, M, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-15
Release date:2007-08-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of the CA domain of human protocadherin 9
To be Published
2E8S
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BU of 2e8s by Molmil
Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3
Descriptor: Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION
Authors:Asada, Y, Shimada, H, Taketa, M, Nakamoto, T, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-23
Release date:2007-07-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3
To be Published
7M2E
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BU of 7m2e by Molmil
Crystal structure of BPTF bromodomain in complex with CB02-092
Descriptor: 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
Authors:Nithianantham, S, Fischer, M.
Deposit date:2021-03-16
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition
J.Med.Chem., 64, 2021
6EY9
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BU of 6ey9 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
5CZB
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BU of 5czb by Molmil
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
Descriptor: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Pierra, C, Dousson, C, Augustin, M.
Deposit date:2015-07-31
Release date:2016-06-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
3KH2
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BU of 3kh2 by Molmil
Crystal structure of the P1 bacteriophage Doc toxin (F68S) in complex with the Phd antitoxin (L17M/V39A). Northeast Structural Genomics targets ER385-ER386
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Death on curing protein, ...
Authors:Arbing, M.A, Kuzin, A.P, Su, M, Abashidze, M, Verdon, G, Liu, M, Xiao, R, Acton, T, Inouye, M, Montelione, G.T, Woychik, N.A, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-29
Release date:2010-08-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
6UFK
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BU of 6ufk by Molmil
Pistol ribozyme product crystal soaked in Mn2+
Descriptor: MANGANESE (II) ION, RNA (5'-R(*UP*CP*CP*AP*G)-3'), RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(23G))-3'), ...
Authors:Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R.
Deposit date:2019-09-24
Release date:2019-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
8ATN
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BU of 8atn by Molmil
Discovery of IRAK4 Inhibitor 38
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Authors:Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M.
Deposit date:2022-08-23
Release date:2023-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
6B3J
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BU of 6b3j by Molmil
3.3 angstrom phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex
Descriptor: Exendin-P5, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liang, Y.L, Khoshouei, M, Glukhova, A, Furness, S.G.B, Koole, C, Zhao, P, Clydesdale, L, Thal, D.M, Radjainia, M, Danev, R, Baumeister, W, Wang, M.W, Miller, L.J, Christopoulos, A, Sexton, P.M, Wootten, D.
Deposit date:2017-09-22
Release date:2018-02-21
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Phase-plate cryo-EM structure of a biased agonist-bound human GLP-1 receptor-Gs complex.
Nature, 555, 2018
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
Descriptor: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:DiDonato, M, Spraggon, G.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
5CS7
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BU of 5cs7 by Molmil
The crystal structure of wt beta2-microglobulin at room temperature
Descriptor: Beta-2-microglobulin
Authors:de Rosa, M, Mota, C.S, de Sanctis, D, Bolognesi, M, Ricagno, S.
Deposit date:2015-07-23
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
6R8G
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BU of 6r8g by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine
Descriptor: 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
Deposit date:2019-04-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity
Commun Biol, 2021
6OQZ
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BU of 6oqz by Molmil
Crystal structure of Glucose Isomerase from Non-merohedrally twinned crystals
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Sevvana, M, Ruf, M, Uson, I, Sheldrick, G.M, Herbst-Irmer, R.
Deposit date:2019-04-29
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Non-merohedral twinning: from minerals to proteins.
Acta Crystallogr D Struct Biol, 75, 2019
8VIJ
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BU of 8vij by Molmil
Crystal structure of Shewanella benthica Group 1 truncated hemoglobin Y34F C51S C71S variant (cyanomet)
Descriptor: CYANIDE ION, Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lecomte, J.T.J, Schlessman, J.L, Martinez, J.E, Schultz, T.D, Siegler, M.A, DelCampo, M, Le Magueres, P.
Deposit date:2024-01-04
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of Shewanella benthica Group 1 truncated hemoglobin Y34F C51S C71S variant in the cyanomet state
To be published
8OFZ
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BU of 8ofz by Molmil
Molecular Mechanism of trypanosomal AQP2
Descriptor: Aquaglyceroporin 2, GLYCEROL
Authors:Weyand, S.N, Matusevicius, M, Yamashita, K.
Deposit date:2023-03-17
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular Mechanism of trypanosomal AQP2
To Be Published
6U6O
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Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH846
Descriptor: DH846 Fab heavy chain, DH846 Fab light chain
Authors:Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G.
Deposit date:2019-08-30
Release date:2021-03-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021
6U6M
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Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH840.1
Descriptor: DH840.1 Fab heavy chain, DH840.1 Fab light chain
Authors:Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G.
Deposit date:2019-08-30
Release date:2021-03-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021

225681

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