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2LWN
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BU of 2lwn by Molmil
Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion
Descriptor: DNA (5'-D(*CP*GP*TP*AP*C*(LWM)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*GP*TP*AP*CP*G)-3')
Authors:Zalianyak, T, de los Santos, C, Lukin, M, Attaluri, S, Johnson, F.
Deposit date:2012-08-03
Release date:2013-02-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion
Chem.Res.Toxicol., 25, 2012
2LWM
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BU of 2lwm by Molmil
Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion
Descriptor: DNA (5'-D(*CP*GP*TP*AP*C*(LWM)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*GP*TP*AP*CP*G)-3')
Authors:Zalianyak, T, de los Santos, C, Lukin, M, Attaluri, S, Johnson, F.
Deposit date:2012-08-03
Release date:2013-02-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of Duplex DNA Containing a b-Carba-Fapy-dG Lesion
Chem.Res.Toxicol., 25, 2012
4GZA
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BU of 4gza by Molmil
Complex of mouse Plexin A2 - Semaphorin 3A - Neuropilin-1
Descriptor: CALCIUM ION, Neuropilin-1, Plexin-A2, ...
Authors:Janssen, B.J.C, Malinauskas, T, Siebold, C, Jones, E.Y.
Deposit date:2012-09-06
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (7 Å)
Cite:Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex.
Nat.Struct.Mol.Biol., 19, 2012
4GZ8
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BU of 4gz8 by Molmil
Mouse Semaphorin 3A, domains Sema-PSI-IG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Janssen, B.J.C, Malinauskas, T, Siebold, C, Jones, E.Y.
Deposit date:2012-09-06
Release date:2012-10-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex.
Nat.Struct.Mol.Biol., 19, 2012
3NZH
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BU of 3nzh by Molmil
Crystal structure of anti-emmprin antibody 5F6 FAB
Descriptor: 5F6 HEAVY CHAIN, 5F6 LIGHT CHAIN, COBALT (II) ION, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2010-07-16
Release date:2011-07-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of anti-emmprin antibody 5F6 FAB
To be Published
6RTW
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BU of 6rtw by Molmil
Crystal structure of the Patched-1 (PTCH1) ectodomain in complex with nanobody NB64 and cholesterol-hemisuccinate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Llama-derived nanobody NB64, ...
Authors:Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-27
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RVC
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BU of 6rvc by Molmil
Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody NB75, Protein patched homolog 1, ...
Authors:Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-31
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RTX
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BU of 6rtx by Molmil
Crystal structure of the Patched-1 (PTCH1) ectodomain 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1
Authors:Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-27
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RVD
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BU of 6rvd by Molmil
Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-31
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RTY
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BU of 6rty by Molmil
Crystal structure of the Patched ectodomain in complex with nanobody NB64
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Llama-derived nanobody NB64, Protein patched homolog 1
Authors:Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
Deposit date:2019-05-27
Release date:2019-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6HUG
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BU of 6hug by Molmil
CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38.
Descriptor: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
Deposit date:2018-10-08
Release date:2019-01-02
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
6HUO
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BU of 6huo by Molmil
CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with alprazolam (Xanax), GABA and megabody Mb38.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
Deposit date:2018-10-09
Release date:2019-01-02
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
6HUJ
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BU of 6huj by Molmil
CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38.
Descriptor: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
Deposit date:2018-10-08
Release date:2019-01-02
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
6HUP
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BU of 6hup by Molmil
CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
Deposit date:2018-10-09
Release date:2019-01-02
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
6I53
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BU of 6i53 by Molmil
Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Laverty, D, Desai, R, Uchanski, T, Masiulis, S, Wojciech, J.S, Malinauskas, T, Zivanov, J, Pardon, E, Steyaert, J, Miller, K.W, Aricescu, A.R.
Deposit date:2018-11-12
Release date:2019-01-02
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the human alpha 1 beta 3 gamma 2 GABAAreceptor in a lipid bilayer.
Nature, 565, 2019
7PGK
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BU of 7pgk by Molmil
HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), in complex with glycosaminoglycan mimic SOS
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Hedgehog-interacting protein
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2021-12-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
7PGL
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BU of 7pgl by Molmil
HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), apo-form
Descriptor: Hedgehog-interacting protein
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
7PGN
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BU of 7pgn by Molmil
HHP-C in complex with glycosaminoglycan mimic SOS
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
7PGM
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BU of 7pgm by Molmil
HHIP-C in complex with heparin
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-3)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Hedgehog-interacting protein
Authors:Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C.
Deposit date:2021-08-14
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
5L5N
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BU of 5l5n by Molmil
Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8.5 angstrom, spacegroup P4(3)22
Descriptor: Plexin-A4
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (8.502 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5G
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BU of 5l5g by Molmil
Plexin A2 full extracellular region, domains 1 to 8 modeled, data to 10 angstrom
Descriptor: Plexin-A2
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (10 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5M
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BU of 5l5m by Molmil
Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8 angstrom, spacegroup P4(3)2(1)2
Descriptor: Plexin-A4
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (8 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
6HUK
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BU of 6huk by Molmil
CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with bicuculline and megabody Mb38.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-3, ...
Authors:Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R.
Deposit date:2018-10-08
Release date:2019-01-02
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
5L59
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BU of 5l59 by Molmil
Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P2(1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5K
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BU of 5l5k by Molmil
Plexin A4 full extracellular region, domains 1 to 10, data to 7.5 angstrom, spacegroup P4(1)
Descriptor: Plexin-A4
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (7.501 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016

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