7LX9
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![BU of 7lx9 by Molmil](/molmil-images/mine/7lx9) | T4 lysozyme mutant L99A | Descriptor: | (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LOD
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![BU of 7lod by Molmil](/molmil-images/mine/7lod) | T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene | Descriptor: | 1-fluoranyl-4-iodanyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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4C79
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![BU of 4c79 by Molmil](/molmil-images/mine/4c79) | Crystal structure of the Smoothened CRD, native | Descriptor: | SMOOTHENED, SODIUM ION, ZINC ION | Authors: | Nachtergaele, S, Whalen, D.M, Mydock, L.K, Zhao, Z, Malinauskas, T, Krishnan, K, Ingham, P.W, Covey, D.F, Rohatgi, R, Siebold, C. | Deposit date: | 2013-09-20 | Release date: | 2013-11-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structure and Function of the Smoothened Extracellular Domain in Vertebrate Hedgehog Signaling Elife, 2, 2013
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7LX6
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![BU of 7lx6 by Molmil](/molmil-images/mine/7lx6) | T4 lysozyme mutant L99A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole, Lysozyme | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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4GZA
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![BU of 4gza by Molmil](/molmil-images/mine/4gza) | 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
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4CNM
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![BU of 4cnm by Molmil](/molmil-images/mine/4cnm) | Crystal structure of human 5T4 (Wnt-activated inhibitory factor 1, Trophoblast glycoprotein) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Zhao, Y, Malinauskas, T, Harlos, K, Jones, E.Y. | Deposit date: | 2014-01-23 | Release date: | 2014-02-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights Into the Inhibition of Wnt Signaling by Cancer Antigen 5T4/Wnt-Activated Inhibitory Factor 1. Structure, 22, 2014
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8F13
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![BU of 8f13 by Molmil](/molmil-images/mine/8f13) | Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide, alternative C-terminus | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase Mdm2, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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8F12
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![BU of 8f12 by Molmil](/molmil-images/mine/8f12) | Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H103, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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8F17
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![BU of 8f17 by Molmil](/molmil-images/mine/8f17) | Structure of the STUB1 TPR domain in complex with H204, an all-D Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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8F16
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![BU of 8f16 by Molmil](/molmil-images/mine/8f16) | Structure of the STUB1 TPR domain in complex with H203, an all-D Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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8F0Z
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![BU of 8f0z by Molmil](/molmil-images/mine/8f0z) | Structure of the MDM2 P53 binding domain in complex with H101, an all-D Helicon Polypeptide | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H101, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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8F10
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![BU of 8f10 by Molmil](/molmil-images/mine/8f10) | Structure of the MDM2 P53 binding domain in complex with H102, an all-D Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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8F14
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![BU of 8f14 by Molmil](/molmil-images/mine/8f14) | Structure of the STUB1 TPR domain in complex with H201, an all-D Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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4GZ8
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![BU of 4gz8 by Molmil](/molmil-images/mine/4gz8) | 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
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4GZ9
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![BU of 4gz9 by Molmil](/molmil-images/mine/4gz9) | Mouse Neuropilin-1, extracellular domains 1-4 (a1a2b1b2) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM 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 (2.7 Å) | Cite: | Neuropilins lock secreted semaphorins onto plexins in a ternary signaling complex. Nat.Struct.Mol.Biol., 19, 2012
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7LOG
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![BU of 7log by Molmil](/molmil-images/mine/7log) | T4 lysozyme mutant L99A in complex with 3-butylpyridine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LXA
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![BU of 7lxa by Molmil](/molmil-images/mine/7lxa) | T4 lysozyme mutant L99A | Descriptor: | (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-03-03 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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4C4N
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![BU of 4c4n by Molmil](/molmil-images/mine/4c4n) | Crystal structure of the Sonic Hedgehog-heparin complex | Descriptor: | 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, 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, CALCIUM ION, ... | Authors: | Whalen, D.M, Malinauskas, T, Gilbert, R.J.C, Siebold, C. | Deposit date: | 2013-09-05 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural Insights Into Proteoglycan-Shaped Hedgehog Signaling. Proc.Natl.Acad.Sci.USA, 110, 2013
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4C4M
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![BU of 4c4m by Molmil](/molmil-images/mine/4c4m) | Crystal structure of the Sonic Hedgehog-chondroitin-4-sulphate complex | Descriptor: | ACETATE ION, CALCIUM ION, SONIC HEDGEHOG PROTEIN, ... | Authors: | Whalen, D.M, Malinauskas, T, Gilbert, R.J.C, Siebold, C. | Deposit date: | 2013-09-05 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural Insights Into Proteoglycan-Shaped Hedgehog Signaling. Proc.Natl.Acad.Sci.USA, 110, 2013
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5TLJ
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![BU of 5tlj by Molmil](/molmil-images/mine/5tlj) | COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND M2191 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, M2177 HEAVY CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | Deposit date: | 2016-10-11 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography. Mol. Immunol., 83, 2017
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3O11
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![BU of 3o11 by Molmil](/molmil-images/mine/3o11) | Anti-beta-amyloid antibody c706 fab in space group c2 | Descriptor: | C706 HEAVY CHAIN variable region, Ig gamma-1 chain C region chimera, C706 LIGHT CHAIN variable region, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | Deposit date: | 2010-07-20 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | His-tag binding by antibody C706 mimics beta-amyloid recognition. J.Mol.Recognit., 24, 2011
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5TLK
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![BU of 5tlk by Molmil](/molmil-images/mine/5tlk) | COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND H2191 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, H2191 HEAVY CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | Deposit date: | 2016-10-11 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography. Mol. Immunol., 83, 2017
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5TL5
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![BU of 5tl5 by Molmil](/molmil-images/mine/5tl5) | COMPLEX BETWEEN HUMAN CD27 AND ANTIBODY M2177 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, M2177 HEAVY CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | Deposit date: | 2016-10-10 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of CD27 in complex with a neutralizing noncompeting antibody. Acta Crystallogr F Struct Biol Commun, 73, 2017
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2WF7
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![BU of 2wf7 by Molmil](/molmil-images/mine/2wf7) | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphonate and Aluminium tetrafluoride | Descriptor: | 6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-04-03 | Release date: | 2010-05-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction. Proc.Natl.Acad.Sci.USA, 111, 2014
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2LGM
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![BU of 2lgm by Molmil](/molmil-images/mine/2lgm) | Structure of DNA Containing an Aristolactam II-dA Lesion | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*AP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*TP*GP*TP*AP*CP*G)-3'), [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one | Authors: | Lukin, M, Zaliznyak, T, Johnson, F, de los Santos, C. | Deposit date: | 2011-07-28 | Release date: | 2011-11-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and stability of DNA containing an aristolactam II-dA lesion: implications for the NER recognition of bulky adducts. Nucleic Acids Res., 40, 2012
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