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1WHF
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BU of 1whf by Molmil
COAGULATION FACTOR, NMR, 15 STRUCTURES
Descriptor: COAGULATION FACTOR X
Authors:Sunnerhagen, M, Olah, G.A, Stenflo, J, Forsen, S, Drakenberg, T, Trewhella, J.
Deposit date:1996-06-18
Release date:1997-05-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:The relative orientation of Gla and EGF domains in coagulation factor X is altered by Ca2+ binding to the first EGF domain. A combined NMR-small angle X-ray scattering study.
Biochemistry, 35, 1996
8ITG
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BU of 8itg by Molmil
Crystal structure of lasso peptide epimerase MslH in complexed with precursor peptide variant MslAW21G
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein), ...
Authors:Nakashima, Y, Hiroyuki, M.
Deposit date:2023-03-22
Release date:2023-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
8ITH
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BU of 8ith by Molmil
Crystal structure of lasso peptide epimerase MslH H295N
Descriptor: CALCIUM ION, GLYCEROL, Poly-gamma-glutamate synthesis protein (Capsule biosynthesis protein)
Authors:Nakashima, Y, Hiroyuki, M.
Deposit date:2023-03-22
Release date:2023-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Nat Commun, 14, 2023
4MXE
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BU of 4mxe by Molmil
Human ESCO1 (Eco1/Ctf7 ortholog), acetyltransferase domain in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, N-acetyltransferase ESCO1
Authors:Karlberg, T, Wisniewska, M, Thorsell, A.G, Kouznetsova, E, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Svensson, L, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2013-09-26
Release date:2015-04-08
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Structure, 24, 2016
6LBA
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BU of 6lba by Molmil
Cryo-EM structure of the AtMLKL2 tetramer
Descriptor: Protein kinase family protein
Authors:Lisa, M, Huang, M, Zhang, X, Ryohei, T.N, Leila, B.K, Isabel, M.L.S, Florence, J, Viera, K, Dmitry, L, Jane, E.P, James, M.M, Kay, H, Paul, S.L, Chai, J, Takaki, M.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of the AtMLKL3 tetramer
To Be Published
6EL0
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BU of 6el0 by Molmil
Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with styrene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Aromatic peroxygenase, CHLORIDE ION, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2017-09-27
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Acs Chem.Biol., 13, 2018
6L0W
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BU of 6l0w by Molmil
Structure of RLD2 BRX domain bound to LZY3 CCL motif
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, NGR2, ...
Authors:Hirano, Y, Futrutani, M, Nishimura, T, Taniguchi, M, Morita, M.T, Hakoshima, T.
Deposit date:2019-09-27
Release date:2020-02-05
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Polar recruitment of RLD by LAZY1-like protein during gravity signaling in root branch angle control.
Nat Commun, 11, 2020
1WDV
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BU of 1wdv by Molmil
Crystal structure of hypothetical protein APE2540
Descriptor: hypothetical protein APE2540
Authors:Murayama, K, Kato-Murayama, M, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-18
Release date:2004-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a putative trans-editing enzyme for prolyl-tRNA synthetase from Aeropyrum pernix K1 at 1.7 A resolution.
Acta Crystallogr.,Sect.F, 61, 2005
6ESC
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BU of 6esc by Molmil
Crystal structure of Pseudorabies virus glycoprotein B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, GLYCEROL
Authors:Backovic, M, Vaney, M.C, Rey, F.A, Haouz, A.
Deposit date:2017-10-20
Release date:2017-11-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Function Dissection of Pseudorabies Virus Glycoprotein B Fusion Loops.
J.Virol., 92, 2018
6LCQ
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BU of 6lcq by Molmil
Crystal structure of rice defensin OsAFP1
Descriptor: Defensin-like protein CAL1, PHOSPHATE ION
Authors:Ochiai, A, Ogawa, K, Fukuda, M, Suzuki, M, Ito, K, Tanaka, T, Sagehashi, Y, Taniguchi, M.
Deposit date:2019-11-19
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of rice defensin OsAFP1 and molecular insight into lipid-binding.
J.Biosci.Bioeng., 130, 2020
8ING
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BU of 8ing by Molmil
Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution
Descriptor: 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ahmad, M.I, Viswanathan, V, Kumar, M, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2023-03-09
Release date:2023-04-05
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution
To be published
8IC9
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BU of 8ic9 by Molmil
Lys48-linked K48C-diubiquitin
Descriptor: Polyubiquitin-B, Ubiquitin
Authors:Hiranyakorn, M, Yagi-Utsumi, M, Yanaka, S, Ohtsuka, N, Momiyama, N, Satoh, T, Kato, K.
Deposit date:2023-02-11
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mutational and Environmental Effects on the Dynamic Conformational Distributions of Lys48-Linked Ubiquitin Chains.
Int J Mol Sci, 24, 2023
6EHC
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BU of 6ehc by Molmil
OmpUdeltaN (N-terminus deletion mutant of OmpU), outer membrane protein of Vibrio cholerae
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein U
Authors:van den berg, B, Pathania, M.
Deposit date:2017-09-13
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae.
Structure, 26, 2018
6EMK
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BU of 6emk by Molmil
Cryo-EM Structure of Saccharomyces cerevisiae Target of Rapamycin Complex 2
Descriptor: Serine/threonine-protein kinase TOR2, Target of rapamycin complex 2 subunit AVO1, Target of rapamycin complex 2 subunit AVO2, ...
Authors:Karuppasamy, M, Kusmider, B, Oliveira, T.M, Gaubitz, C, Prouteau, M, Loewith, R, Schaffitzel, C.
Deposit date:2017-10-02
Release date:2017-12-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Cryo-EM structure of Saccharomyces cerevisiae target of rapamycin complex 2.
Nat Commun, 8, 2017
6EPB
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BU of 6epb by Molmil
Structure of Chitinase 42 from Trichoderma harzianum
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Endochitinase 42, ...
Authors:Ramirez-Escudero, M, Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2017-10-11
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity.
Microb. Cell Fact., 17, 2018
3TQU
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BU of 3tqu by Molmil
Structure of a HAM1 protein from Coxiella burnetii
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Non-canonical purine NTP pyrophosphatase
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR1
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BU of 3tr1 by Molmil
Structure of a 3-phosphoshikimate 1-carboxyvinyltransferase (aroA) from Coxiella burnetii
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHATE ION, POTASSIUM ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3KWJ
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BU of 3kwj by Molmil
Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine
Descriptor: (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form
Authors:Hennig, M, Stihle, M, Thoma, R.
Deposit date:2009-12-01
Release date:2010-09-15
Last modified:2020-09-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6WTQ
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BU of 6wtq by Molmil
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ...
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79968476 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
6WTN
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BU of 6wtn by Molmil
Human JAK2 JH1 domain in complex with Ruxolitinib
Descriptor: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
3TQG
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BU of 3tqg by Molmil
Structure of the 2-methylcitrate synthase (prpC) from Coxiella burnetii
Descriptor: 2-methylcitrate synthase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
6WTP
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BU of 6wtp by Molmil
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3
Descriptor: GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
3TR5
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BU of 3tr5 by Molmil
Structure of a peptide chain release factor 3 (prfC) from Coxiella burnetii
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor 3
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
6WTO
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BU of 6wto by Molmil
Human JAK2 JH1 domain in complex with Baricitinib
Descriptor: 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
3U2O
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BU of 3u2o by Molmil
Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Lozoya, E, Segarra, V, Erra, M, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M.
Deposit date:2011-10-04
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Biaryl analogues of teriflunomide as potent DHODH inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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