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6G6N
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BU of 6g6n by Molmil
Crystal structure of the computationally designed Tako8 protein in C2
Descriptor: Tako8
Authors:Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
Deposit date:2018-04-01
Release date:2018-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
8JHK
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BU of 8jhk by Molmil
Cryo-EM structure of the DOCK5/ELMO1 complex, focused on one protomer
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1
Authors:Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2023-05-23
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.76 Å)
Cite:RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
2ESF
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BU of 2esf by Molmil
Identification of a Novel Non-Catalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Gareiss, P.C.
Deposit date:2005-10-26
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase.
Biochemistry, 45, 2006
3WWF
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BU of 3wwf by Molmil
Crystal structure of the computationally designed Pizza2-SR protein
Descriptor: pizza2sr-pb protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WWB
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BU of 3wwb by Molmil
Crystal structure of the computationally designed Pizza2-SR protein
Descriptor: Pizza2-SR protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WWA
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BU of 3wwa by Molmil
Crystal structure of the computationally designed Pizza7 protein after heat treatment
Descriptor: ISOPROPYL ALCOHOL, Pizza7H protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WW9
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BU of 3ww9 by Molmil
Crystal structure of the computationally designed Pizza6 protein
Descriptor: GLYCEROL, SULFATE ION, pizza6 protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WW7
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BU of 3ww7 by Molmil
Crystal structure of the computationally designed Pizza2 protein
Descriptor: GLYCEROL, Pizza2 protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WW8
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BU of 3ww8 by Molmil
Crystal structure of the computationally designed Pizza3 protein
Descriptor: GLYCEROL, Pizza3 protein, SULFATE ION
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
5XG5
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BU of 5xg5 by Molmil
Crystal structure of Mitsuba-1 with bound NAcGal
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MITSUBA-1
Authors:Terada, D, Voet, A.R.D, Kamata, K, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2017-04-12
Release date:2017-07-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Computational design of a symmetrical beta-trefoil lectin with cancer cell binding activity.
Sci Rep, 7, 2017
7COZ
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BU of 7coz by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41
Descriptor: 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ...
Authors:Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
Deposit date:2020-08-05
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
7CP0
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BU of 7cp0 by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase
Descriptor: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
Authors:Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
Deposit date:2020-08-05
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
7DPA
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BU of 7dpa by Molmil
Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex
Descriptor: Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Kukimoto-Niino, M, Katsura, K, Kaushik, R, Ehara, H, Yokoyama, T, Uchikubo-Kamo, T, Mishima-Tsumagari, C, Yonemochi, M, Ikeda, M, Hanada, K, Zhang, K.Y.J, Shirouzu, M.
Deposit date:2020-12-18
Release date:2021-08-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex.
Sci Adv, 7, 2021
7D8E
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BU of 7d8e by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09
Descriptor: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
Authors:Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
Deposit date:2020-10-08
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09
To Be Published
7DVH
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BU of 7dvh by Molmil
Crystal structure of the computationally designed reDPBB_sym4 protein
Descriptor: reDPBB_sym4 protein
Authors:Yagi, S, Tagami, S, Padhi, A.K, Zhang, K.Y.J.
Deposit date:2021-01-13
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
7DVC
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BU of 7dvc by Molmil
Crystal structure of the computationally designed reDPBB_sym1 protein
Descriptor: ACETATE ION, CHLORIDE ION, reDPBB_sym1 protein
Authors:Yagi, S, Tagami, S, Padhi, A.K, Zhang, K.Y.J.
Deposit date:2021-01-13
Release date:2021-09-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
7DVF
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BU of 7dvf by Molmil
Crystal structure of the computationally designed reDPBB_sym2 protein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, reDPBB_sym2 protein
Authors:Yagi, S, Tagami, S, Padhi, A.K, Zhang, K.Y.J.
Deposit date:2021-01-13
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.209 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
3ET3
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BU of 3et3 by Molmil
Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Descriptor: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor gamma, Steroid receptor coactivator 1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
7YIR
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BU of 7yir by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein from human
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3, DI(HYDROXYETHYL)ETHER
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2022-07-18
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
7YIS
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BU of 7yis by Molmil
Crystal structure of N-terminal PH domain of ARAP3 protein in complex with inositol 1,3,4,5-tetrakisphosphate
Descriptor: (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2022-07-18
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3.
Int J Mol Sci, 24, 2023
7WFY
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BU of 7wfy by Molmil
Crystal Structure of the VAV2 SH2 domain in complex with APP phosphorylated peptide
Descriptor: Amyloid beta A4 protein-binding family B member 1 (protein), Guanine nucleotide exchange factor VAV2
Authors:Zhang, Y.J, Liu, Y.R, Wu, B.
Deposit date:2021-12-27
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Vav2 is a novel APP-interacting protein that regulates APP protein level.
Sci Rep, 12, 2022
1RLD
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BU of 1rld by Molmil
SOLID-STATE PHASE TRANSITION IN THE CRYSTAL STRUCTURE OF RIBULOSE 1,5-BIPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE
Descriptor: RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN)
Authors:Zhang, K.Y.J, Eisenberg, D.
Deposit date:1993-12-10
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Solid-state phase transition in the crystal structure of ribulose 1,5-bisphosphate carboxylase/oxygenase.
Acta Crystallogr.,Sect.D, 50, 1994
1RLC
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BU of 1rlc by Molmil
CRYSTAL STRUCTURE OF THE UNACTIVATED RIBULOSE 1, 5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE COMPLEXED WITH A TRANSITION STATE ANALOG, 2-CARBOXY-D-ARABINITOL 1,5-BISPHOSPHATE
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN)
Authors:Zhang, K.Y.J, Cascio, D, Eisenberg, D.
Deposit date:1993-08-04
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the unactivated ribulose 1,5-bisphosphate carboxylase/oxygenase complexed with a transition state analog, 2-carboxy-D-arabinitol 1,5-bisphosphate.
Protein Sci., 3, 1994
3C4E
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BU of 3c4e by Molmil
Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole
Descriptor: IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C4F
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BU of 3c4f by Molmil
FGFR TYROSINE KINASE DOMAIN IN COMPLEX WITH 3-(3-methoxybenzyl)-7-azaindole
Descriptor: 3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine, Basic fibroblast growth factor receptor 1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-01-29
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008

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