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6PT8
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Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid
分子名称: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ...
著者Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I.
登録日2019-07-15
公開日2020-07-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
6PTF
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BU of 6ptf by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State
分子名称: UPF0284 protein MJ1598
著者Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
登録日2019-07-15
公開日2020-07-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
分子名称: Beta-lactamase
著者Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
登録日2017-07-11
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
6Q29
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BU of 6q29 by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposted dose 2.5 MGy)
分子名称: COPPER (II) ION, Laccase, TETRAETHYLENE GLYCOL, ...
著者Miranda-Blancas, R, Rudino-Pinera, E.
登録日2019-08-07
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献The beta-hairpin from the Thermus thermophilus HB27 laccase works as a pH-dependent switch to regulate laccase activity.
J.Struct.Biol., 213, 2021
6QE4
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BU of 6qe4 by Molmil
Re-refinement of 5OLI human IBA57-I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial
著者Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V.
登録日2019-01-04
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
6QE3
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Re-refinement of 6ESR human IBA57 at 1.75 A resolution
分子名称: Putative transferase CAF17, mitochondrial
著者Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L.
登録日2019-01-04
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
8I7Q
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BU of 8i7q by Molmil
Cobalt and Calcium coordinated Concanavalin A at pH 7.4 from Canavalia ensiformis
分子名称: CALCIUM ION, COBALT (II) ION, Concanavalin A
著者Hwang, Y, Jeong, J.H, Lee, S.J.
登録日2023-02-01
公開日2023-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Selective interactions of Co 2+ -Ca 2+ -concanavalin A with high mannose N -glycans.
Dalton Trans, 53, 2024
6Y9S
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BU of 6y9s by Molmil
Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16
分子名称: ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
著者Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
登録日2020-03-10
公開日2020-05-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
5OQ1
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BU of 5oq1 by Molmil
Crystal structure of Serratia marcescens ChiX (used as MR model for superior PDB 5OPZ)
分子名称: CHLORIDE ION, ChiX, ZINC ION
著者Owen, R.A, Fyfe, P.K, Lodge, A, Biboy, J, Vollmer, W, Hunter, W.N, Sargent, F.
登録日2017-08-10
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure and activity of ChiX: a peptidoglycan hydrolase required for chitinase secretion by Serratia marcescens.
Biochem. J., 475, 2018
6Y9R
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Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2
分子名称: ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ...
著者Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
登録日2020-03-10
公開日2020-05-20
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
6RGJ
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BU of 6rgj by Molmil
Photorhabdus asymbiotica lectin PHL in complex with D-glucose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6ZFW
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BU of 6zfw by Molmil
X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P.
登録日2020-06-18
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.
Chem.Commun.(Camb.), 56, 2020
6RGR
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BU of 6rgr by Molmil
Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-17
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6ZK0
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BU of 6zk0 by Molmil
1.47A human IMPase with ebselen
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ...
著者Bax, B.D, Fenn, G.D.
登録日2020-06-29
公開日2020-09-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase.
Acta Crystallogr.,Sect.F, 76, 2020
6ROA
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BU of 6roa by Molmil
Crystal structure of V57G mutant of human cystatin C
分子名称: Cystatin-C
著者Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A.
登録日2019-05-10
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
6RFZ
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BU of 6rfz by Molmil
Photorhabdus laumondii lectin PLL2 in complex with D-glucose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RG1
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BU of 6rg1 by Molmil
Photorhabdus laumondii lectin PLL2 in complex with L-rhamnose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Houser, J, Fujdiarova, E, Wimmerova, M.
登録日2019-04-16
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RPV
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BU of 6rpv by Molmil
Extremely stable monomeric variant of human cystatin C with single amino acid substitution
分子名称: Cystatin-C
著者Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M.
登録日2019-05-14
公開日2019-07-31
最終更新日2023-06-14
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
分子名称: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
著者Parris, K.D, Mosyak, L.
登録日2015-12-02
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
2OSN
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BU of 2osn by Molmil
An alternate description of a crystal structure of phospholipase A2 from Bungarus caeruleus
分子名称: CHLORIDE ION, Phospholipase A2 isoform 3
著者Stenkamp, R.E, Le Trong, I.
登録日2007-02-06
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternate description of two crystal structures of phospholipase A(2) from Bungarus caeruleus.
Acta Crystallogr.,Sect.D, 63, 2007
6CR1
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BU of 6cr1 by Molmil
adalimumab EFab
分子名称: DI(HYDROXYETHYL)ETHER, Heavy chain of adalimumab EFab (VH-IgE CH2), Light chain of adalimumab EFab (VL-IgE CH2), ...
著者Arndt, J.W.
登録日2018-03-16
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献EFab domain substitution as a solution to the light-chain pairing problem of bispecific antibodies.
MAbs, 10, 2018
5F3B
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BU of 5f3b by Molmil
Structure of myostatin in complex with chimeric RK35 antibody
分子名称: GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ...
著者Parris, K.D, Mosyak, L.
登録日2015-12-02
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
1AM5
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BU of 1am5 by Molmil
THE CRYSTAL STRUCTURE AND PROPOSED AMINO ACID SEQUENCE OF A PEPSIN FROM ATLANTIC COD (GADUS MORHUA)
分子名称: PEPSIN
著者Karlsen, S, Hough, E, Olsen, R.L.
登録日1997-06-23
公開日1997-12-24
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure and proposed amino-acid sequence of a pepsin from atlantic cod (Gadus morhua).
Acta Crystallogr.,Sect.D, 54, 1998
12E8
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2E8 FAB FRAGMENT
分子名称: IGG1-KAPPA 2E8 FAB (HEAVY CHAIN), IGG1-KAPPA 2E8 FAB (LIGHT CHAIN)
著者Rupp, B, Trakhanov, S.
登録日1998-03-14
公開日1998-08-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a monoclonal 2E8 Fab antibody fragment specific for the low-density lipoprotein-receptor binding region of apolipoprotein E refined at 1.9 A.
Acta Crystallogr.,Sect.D, null, 1999
6DUP
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BU of 6dup by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7
分子名称: (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2
著者Chen, X, Zhang, Y, Mclean, L.R.
登録日2018-06-21
公開日2018-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators.
Bioorg. Med. Chem. Lett., 28, 2018

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